Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.50 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | FKBP1A | P62942 | 9/20 | 0.46 |
| ▸ | PREP | P48147 | 3/20 | 0.44 |
| ▸ | LTA4H | P09960 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317719 | 0.89 | ACE (0.50) | ACEFKBP1APREPLTA4H | |
| SCHEMBL6639156 | 0.81 | ACE (0.59) | ACEKLK5ALDH1A1HPGDFKBP1A | |
| SCHEMBL10509005 | 0.81 | ACE (0.59) | ACEKLK5ALDH1A1HPGDFKBP1A | |
| SCHEMBL7310243 | 0.81 | KLK5 (0.49) | ACEKLK5ALDH1A1MAPTHPGD | |
| SCHEMBL9464405 | 0.81 | PREP (0.67) | ACEKLK5ALDH1A1NPSR1FKBP1A | |
| SCHEMBL18620837 | 0.81 | PREP (0.67) | ACEKLK5ALDH1A1NPSR1FKBP1A | |
| SCHEMBL22811247 | 0.78 | FKBP1A (0.49) | ACEKLK5ALDH1A1FKBP1A | |
| SCHEMBL1189713 | 0.77 | FKBP1A (0.63) | ACEKLK5ALDH1A1FKBP1APREP | |
| SCHEMBL10508467 | 0.77 | ACE (0.62) | ACEKLK5ALDH1A1HPGDFKBP1A | |
| SCHEMBL10508472 | 0.77 | ACE (0.62) | ACEKLK5ALDH1A1HPGDFKBP1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0601459-A2 | Sulfonamido heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-15 | — | — | EP | disclosed |