Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7455237 | 1.00 | EHMT2 (0.35) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7456321 | 0.90 | EHMT2 (0.36) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7456327 | 0.90 | EHMT2 (0.36) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7902405 | 0.89 | CYP3A4 (0.36) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7555364 | 0.89 | CYP3A4 (0.36) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7455784 | 0.85 | BRD4 (0.38) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7455790 | 0.85 | BRD4 (0.38) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL10954047 | 0.69 | EHMT2 (0.40) | EHMT2TSHRCYP3A4CYP2C19SMO | |
| SCHEMBL7909571 | 0.68 | DDB1 (0.37) | — | |
| SCHEMBL7909818 | 0.67 | HTR7 (0.30) | — |
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-0934305-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| 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 |
| EP-0934305-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998008840-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-03-05 | — | — | WO | disclosed |