Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MYC | P01106 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7912662 | 1.00 | ALDH1A1 (0.38) | ALDH1A1LMNAGAASMN1; SMN2CYP1A2 | |
| SCHEMBL7456327 | 0.83 | EHMT2 (0.36) | GAACYP2C19CYP3A4 | |
| SCHEMBL7910576 | 0.81 | ALDH1A1 (0.39) | ALDH1A1LMNAL3MBTL1KMT2A | |
| SCHEMBL7910573 | 0.81 | ALDH1A1 (0.39) | ALDH1A1LMNAL3MBTL1KMT2A | |
| SCHEMBL7555364 | 0.76 | CYP3A4 (0.36) | GAACYP2C19CYP3A4 | |
| SCHEMBL7902405 | 0.76 | CYP3A4 (0.36) | GAACYP2C19CYP3A4 | |
| SCHEMBL7455237 | 0.74 | EHMT2 (0.35) | ALDH1A1GAASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL7459592 | 0.74 | EHMT2 (0.35) | ALDH1A1GAASMN1; SMN2CYP2C19CYP3A4 | |
| SCHEMBL7909668 | 0.72 | ITGAV (0.47) | — | |
| SCHEMBL7909673 | 0.72 | ITGAV (0.47) | — |
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-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |