Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | CPB1 | P15086 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.32 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4696597 | 0.90 | NPC1 (0.35) | ALDH1A1SMN1; SMN2NPC1RAB9AHTR2C | |
| SCHEMBL5187221 | 0.84 | NPC1 (0.37) | TSHRALDH1A1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL5187915 | 0.82 | ALDH1A1 (0.31) | ALDH1A1MEN1KMT2A | |
| SCHEMBL4155681 | 0.80 | ALDH1A1 (0.34) | TSHRALDH1A1CYP3A4CASP1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4147766 | 0.79 | TSHR (0.34) | TSHRALDH1A1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL4138221 | 0.78 | GPR183 (0.35) | TSHRALDH1A1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL20557971 | 0.78 | CCNB2 (0.35) | TSHRALDH1A1CYP3A4CASP1SMN1; SMN2 | |
| SCHEMBL20558125 | 0.76 | ACHE (0.34) | ALDH1A1NPC1RAB9ACPB1LMNA | |
| SCHEMBL5330841 | 0.76 | TSHR (0.40) | TSHRALDH1A1NPC1RAB9AHTR2C | |
| Hydrochloric Acid SCHEMBL4145877 | 0.74 | HTT (0.39) | ALDH1A1NPC1LMNAKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090018329-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS | NOVEXEL (FR) | 2009-01-15 | — | — | US | disclosed |
| US-7439253-B2 | Heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | NOVEXEL (FR) | 2008-10-21 | — | — | US | disclosed |
| US-7288549-B2 | Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents | AVENTIS PHARMA S.A. (FR) | 2007-10-30 | — | — | US | disclosed |
| US-20050245505-A1 | Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents | ENTASIS THERAPEUTICS LIMITED (GB) | 2005-11-03 | — | — | US | disclosed |
| US-20040157826-A1 | Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | AVENTIS PHARMA S.A. (FR) | 2004-08-12 | — | — | 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 (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-20040157826-A1 | Novel heterocyclic compounds, their preparation and their use as medicaments, in particular as antibacterials and beta-lactamase inhibitors | GAA, ALPI, GANAB | TSHR 4594/4885ALDH1A1 305/4885CYP3A4 559/4885 |
| US-20050245505-A1 | Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents | FDPS, MRPL21, DHPS | TSHR 4641/4885ALDH1A1 1565/4885CYP3A4 957/4885 |
| US-20090018329-A1 | NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTIBACTERIALS AND BETA-LACTAMASE INHIBITORS | GAA, GANAB, ALPI | TSHR 4591/4885ALDH1A1 433/4885CYP3A4 568/4885 |
“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.