Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 10/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | REN | P00797 | 1/20 | 0.59 |
| ▸ | ACE2 | Q9BYF1 | 6/20 | 0.55 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.54 |
| ▸ | PREP | P48147 | 2/20 | 0.54 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.53 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18620591 | 1.00 | ACE (0.64) | ACEALDH1A1CYP3A4TSHRREN | |
| SCHEMBL18088488 | 0.92 | ACE (0.60) | ACEALDH1A1CYP3A4TSHRREN | |
| SCHEMBL8268894 | 0.91 | ACE (0.76) | ACERENACE2 | |
| SCHEMBL8261181 | 0.91 | ACE (0.76) | ACERENACE2 | |
| SCHEMBL9477156 | 0.91 | ACE (0.76) | ACERENACE2 | |
| SCHEMBL6979828 | 0.91 | ACE (0.76) | ACERENACE2 | |
| SCHEMBL5970431 | 0.91 | ACE (0.76) | ACERENACE2 | |
| SCHEMBL9574253 | 0.91 | ACE (0.76) | ACERENACE2 | |
| SCHEMBL7321218 | 0.90 | ACE (0.60) | ACEALDH1A1CYP3A4TSHRREN | |
| SCHEMBL20173778 | 0.90 | REN (0.60) | ACEALDH1A1CYP3A4TSHRREN |
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 4 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 |
| US-5561146-A | Modified guanidino and amidino thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-10-01 | — | — | US | disclosed |
| EP-0686642-A2 | Modified guanidino and amidino thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |
| EP-0601459-A2 | Sulfonamido heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-06-15 | — | — | EP | disclosed |