Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9701104 | 0.88 | CYP3A4 (0.45) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL15066586 | 0.84 | KMT2A (0.42) | KDM4EMAPTTSHR | |
| SCHEMBL7078066 | 0.82 | LTA4H (0.50) | NPC1ALDH1A1RAB9AMAPTTSHR | |
| SCHEMBL2222934 | 0.82 | NQO1 (0.42) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL8300230 | 0.81 | CYP1A1 (0.41) | CYP2D6KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL9698295 | 0.79 | PDGFRB (0.46) | CYP2D6CYP3A4KDM4ENPC1ALDH1A1 | |
| SCHEMBL8187884 | 0.78 | ALDH1A1 (0.39) | CYP2D6KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8007736 | 0.77 | CYP19A1 (0.48) | CYP2D6CYP3A4NPC1RAB9AHSD17B10 | |
| SCHEMBL9783835 | 0.76 | NR5A1 (0.50) | CYP2D6CYP3A4KDM4EALDH1A1HPGD | |
| SCHEMBL15067951 | 0.75 | LTA4H (0.44) | CYP2D6CYP3A4NPC1ALDH1A1RAB9A |
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 |