Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.69 |
| ▸ | CA2 | P00918 | 1/20 | 0.69 |
| ▸ | CA9 | Q16790 | 1/20 | 0.69 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.63 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.63 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.63 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.63 |
| ▸ | DHFR | P00374 | 6/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | TLR4 | O00206 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 1/20 | 0.62 |
| ▸ | TYMS | P04818 | 1/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | FOLR2 | P14207 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL25722178 | 0.92 | CA1 (0.70) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL10079668 | 0.90 | DHFR (0.71) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL13530089 | 0.89 | HDAC4 (0.74) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL3175498 | 0.87 | HDAC4 (0.76) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL20223656 | 0.86 | DHFR (0.70) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL20386837 | 0.85 | CA1 (0.63) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL13530087 | 0.85 | CA1 (0.63) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL20386833 | 0.85 | CA1 (0.63) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL22201137 | 0.85 | HDAC4 (0.70) | CA1CA2CA9HDAC4HDAC7 | |
| SCHEMBL14400777 | 0.85 | HDAC4 (0.73) | CA1CA2CA9HDAC4HDAC7 |
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 7 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 | disclosed |
| 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-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 |
| US-7345048-B2 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | PLIVA D.D. (HR) | 2008-03-18 | — | — | 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 |
| US-20030181470-A1 | Heterocyclic compounds and uses thereof as D-alanyl-D-alanine ligase inhibitors | ESSENTIAL THERAPEUTICS, INC. | 2003-09-25 | — | — | US | 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 (2 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 | CA1 3723/4885CA2 3821/4885CA9 3134/4885 |
| US-20080090847-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF AS D-ALANYL-D-ALANINE LIGASE INHIBITORS | AAAS, ALAD, NAALAD2 | CA1 3723/4885CA2 3821/4885CA9 3134/4885 |
“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.