Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 3/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSH | P09668 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2917311 | 1.00 | ACE (0.47) | ACEMEN1KMT2ATAAR1CAPN1 | |
| SCHEMBL6448639 | 0.85 | TAAR1 (0.41) | MEN1KMT2ATAAR1EPHX1POLB | |
| SCHEMBL7372557 | 0.85 | ACE (0.46) | ACEMEN1KMT2ATAAR1CAPN1 | |
| SCHEMBL6448643 | 0.85 | TAAR1 (0.41) | MEN1KMT2ATAAR1EPHX1POLB | |
| SCHEMBL23234551 | 0.79 | CTSB (0.57) | CAPN1CTSBCTSLCTSHCTSK | |
| SCHEMBL21538575 | 0.79 | CA2 (0.61) | CAPN1CTSBPOLBCTSL | |
| SCHEMBL18231229 | 0.79 | CA2 (0.61) | CAPN1CTSBPOLBCTSL | |
| SCHEMBL16362504 | 0.79 | AR (0.39) | ACEMEN1KMT2ATAAR1POLB | |
| SCHEMBL2920753 | 0.78 | TAAR1 (0.53) | ACEMEN1KMT2ATAAR1CAPN1 | |
| SCHEMBL1970032 | 0.78 | TAAR1 (0.53) | ACEMEN1KMT2ATAAR1CAPN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0772590-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| US-5741792-A | ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-04-21 | — | — | US | disclosed |
| US-5741799-A | ANTICOAGULANTS OF SULFONAMIDO HETEROCYCLIC THROMBIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-04-21 | — | — | US | disclosed |
| US-5714485-A | Piperidine and hexahydropyridazine thrombin inhibitors | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5510369-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |