Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9700067 | 0.88 | CYP2D6 (0.49) | CYP3A4CYP2D6CYP2C9KDM4EALDH1A1 | |
| SCHEMBL8532102 | 0.85 | NQO1 (0.50) | CYP3A4CYP2D6KMT2ACYP2C9MEN1 | |
| SCHEMBL6194180 | 0.83 | TTK (0.43) | CYP3A4KDM4EALDH1A1NPC1HPGD | |
| SCHEMBL15067112 | 0.82 | NQO1 (0.48) | CYP3A4CYP2D6KMT2AMEN1KDM4E | |
| SCHEMBL17536735 | 0.82 | MAPT (0.39) | CYP3A4KMT2AKDM4EALDH1A1HPGD | |
| SCHEMBL9698295 | 0.81 | PDGFRB (0.46) | CYP3A4CYP2D6KMT2ACYP2C9MEN1 | |
| SCHEMBL9559856 | 0.81 | CHRNA7 (0.41) | CYP3A4CYP2D6CYP1A2CYP2C19HSD17B10 | |
| SCHEMBL6382918 | 0.81 | CYP11B1 (0.44) | KMT2AKDM4EALDH1A1NPC1HPGD | |
| SCHEMBL2222934 | 0.78 | NQO1 (0.42) | CYP3A4CYP2D6CYP2C9KDM4EALDH1A1 | |
| SCHEMBL9293790 | 0.78 | EPHX2 (0.38) | CYP3A4CYP2C9CYP2C19SMN1; SMN2MAPT |
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-5145858-A | Antiinflammatory | SMITHKLINE BEECHAM CORP. (US) | 1992-09-08 | — | — | US | disclosed |
| US-5002941-A | Antiarthritic agents, arachidonic acid metabolism | SMITHKLINE BEECHAM CORPORATION (US) | 1991-03-26 | — | — | US | disclosed |