Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CHAT | P28329 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PYGL | P06737 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | KDM4B | O94953 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4817991 | 0.79 | ALDH1A1 (0.58) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL4818010 | 0.79 | ALDH1A1 (0.58) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL10973255 | 0.78 | ALDH1A1 (0.64) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL10973260 | 0.78 | ALDH1A1 (0.64) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL3298582 | 0.78 | ALDH1A1 (0.64) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL9720849 | 0.76 | CHAT (0.67) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL8580658 | 0.76 | ALDH1A1 (0.61) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL9720852 | 0.76 | CHAT (0.67) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL48577 | 0.74 | ALDH1A1 (1.00) | ALDH1A1NPFFR2KMT2ANPSR1CHAT | |
| SCHEMBL11123079 | 0.74 | ALDH1A1 (0.58) | ALDH1A1NPFFR2KMT2ANPSR1CHAT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080090847-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | PLIVA D.D. (HR) | 2008-04-17 | — | — | US | claimed |
| EP-1432713-A4 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | ESSENTIAL THERAPEUTICS INC (US) | 2005-05-11 | — | — | EP | claimed |
| EP-1411949-A4 | 8/17 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | ESSENTIAL THERAPEUTICS INC (US) | 2004-11-24 | — | — | EP | claimed |
| EP-1432713-A2 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | Essential Therapeutics, Inc. (US) | 2004-06-30 | — | — | EP | claimed |
| EP-1411949-A2 | 8/17 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | Essential Therapeutics, Inc. (US) | 2004-04-28 | — | — | EP | claimed |
| US-20030181470-A1 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | ESSENTIAL THERAPEUTICS, INC. | 2003-09-25 | — | — | US | claimed |
| US-20030176436-A1 | Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof | ALA PAUL J (DE) | 2003-09-18 | — | — | US | claimed |
| WO-2003002064-A2 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | ESSENTIAL THERAPEUTICS, INC. (US) | 2003-01-09 | — | — | WO | claimed |
| WO-2003001887-A2 | FUSED PYRIMIDINES AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | ESSENTIAL THERAPEUTICS, INC. (US) | 2003-01-09 | — | — | WO | claimed |
| US-20080090847-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | PLIVA D.D. (HR) | 2008-04-17 | — | — | US | disclosed |
| US-7345048-B2 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | PLIVA D.D. (HR) | 2008-03-18 | — | — | US | disclosed |
| EP-1432713-A4 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | ESSENTIAL THERAPEUTICS INC (US) | 2005-05-11 | — | — | EP | disclosed |
| EP-1411949-A4 | 8/17 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | ESSENTIAL THERAPEUTICS INC (US) | 2004-11-24 | — | — | EP | disclosed |
| EP-1432713-A2 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | Essential Therapeutics, Inc. (US) | 2004-06-30 | — | — | EP | disclosed |
| EP-1411949-A2 | 8/17 HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | Essential Therapeutics, Inc. (US) | 2004-04-28 | — | — | EP | disclosed |
| US-20030181470-A1 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | ESSENTIAL THERAPEUTICS, INC. | 2003-09-25 | — | — | US | disclosed |
| US-20030176436-A1 | Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof | ALA PAUL J (DE) | 2003-09-18 | — | — | US | disclosed |
| WO-2003001887-A2 | FUSED PYRIMIDINES AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | ESSENTIAL THERAPEUTICS, INC. (US) | 2003-01-09 | — | — | WO | disclosed |
| WO-2003002064-A2 | FUSED PYRIMIDINE DHFR INHIBITORS AS ANTIBACTERIALS | ESSENTIAL THERAPEUTICS, INC. (US) | 2003-01-09 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030181470-A1 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | AAAS, ALAD, NAALAD2 | ALDH1A1 1974/4885NPFFR2 4627/4885KMT2A 2293/4885 |
| US-20030176436-A1 | Novel heterocyclic compounds as selective bacterial DHFR inhibitors and their uses thereof | DHFR, DHODH, DPYD | ALDH1A1 122/4885NPFFR2 3593/4885KMT2A 1134/4885 |
| US-20080090847-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | AAAS, ALAD, NAALAD2 | ALDH1A1 1974/4885NPFFR2 4627/4885KMT2A 2293/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.