Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.46 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.44 |
| ▸ | CYP17A1 | P05093 | 6/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16720197 | 0.81 | SMN1; SMN2 (0.38) | CYP11B2CYP11B1KDM4ENPC1RAB9A | |
| SCHEMBL4276321 | 0.81 | PDE10A (0.43) | MKNK1MKNK2CYP2A6PDE10APTGS2 | |
| SCHEMBL3535486 | 0.79 | ALDH1A1 (0.39) | CYP3A4ALDH1A1CYP2A6CYP1A2POLB | |
| SCHEMBL8879482 | 0.78 | CYP2A6 (0.49) | CYP11B2CYP11B1CYP17A1CYP19A1CYP3A4 | |
| SCHEMBL7447711 | 0.76 | ALDH1A1 (0.38) | CYP19A1CYP3A4ALDH1A1POLBCYP2C19 | |
| SCHEMBL4279795 | 0.76 | CYP2A6 (0.48) | MKNK1MKNK2CYP19A1CYP2A6FYN | |
| SCHEMBL23071560 | 0.76 | CYP2A6 (0.50) | MKNK1MKNK2CYP11B1CYP3A4ALDH1A1 | |
| SCHEMBL7952212 | 0.75 | CYP2A6 (0.49) | MKNK1MKNK2CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL4365990 | 0.75 | CYP2A6 (0.48) | MKNK1MKNK2CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL4288028 | 0.74 | HSD17B1 (0.41) | CYP3A4CYP2C9FYN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6235758-B1 | CENTRAL NERVOUS SYSTEM DISORDERS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-05-22 | — | — | US | disclosed |
| EP-0808312-B1 | INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM PLC (GB) | 2000-11-02 | — | — | EP | disclosed |
| US-5990133-A | TREATING CENTRAL NERVOUS SYSTEM DISORDERS SUCH AS ANXIETY OR DEPRESSION | SMITHKLINE BEECHAM P.L.C. (GB) | 1999-11-23 | — | — | US | disclosed |