Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.92 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.92 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.92 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.92 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.92 |
| ▸ | PKM | P14618 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.63 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9374131 | 0.96 | SMN1; SMN2 (1.00) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9368572 | 0.95 | SMN1; SMN2 (0.97) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL9369222 | 0.95 | SMN1; SMN2 (0.97) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL392573 | 0.91 | SMN1; SMN2 (0.85) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9148446 | 0.86 | CYP1A2 (0.70) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8978266 | 0.86 | SMN1; SMN2 (0.81) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12672577 | 0.86 | MTNR1A (0.78) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9152556 | 0.85 | CYP1A2 (0.68) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9153271 | 0.85 | SMN1; SMN2 (0.67) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7397625 | 0.84 | CYP1A2 (0.73) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 |
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-5648368-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0673247-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-05-01 | — | — | EP | disclosed |
| EP-0673247-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-09-27 | — | — | EP | disclosed |
| WO-1994012181-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-06-09 | — | — | WO | disclosed |