Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | OGFRL1 | Q5TC84 | 2/20 | 0.35 |
| ▸ | IKBKB | O14920 | 2/20 | 0.35 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.34 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25599107 | 0.82 | KDM4E (0.42) | CDK2IKBKBALDH1A1HTTMAPT | |
| SCHEMBL31349416 | 0.76 | MAPT (0.51) | ALDH1A1MAPTHPGD | |
| SCHEMBL14824462 | 0.76 | MAPT (0.51) | ALDH1A1MAPTHPGD | |
| SCHEMBL17487739 | 0.75 | KCNH2 (0.43) | ALDH1A1HPGDCNR2TRPC6 | |
| SCHEMBL3577361 | 0.71 | MCHR1 (0.44) | PDE10AMAPTHTR2B | |
| SCHEMBL31349362 | 0.70 | BRD4 (0.36) | GRM1ALDH1A1MAPTCYP3A4HTR2B | |
| SCHEMBL3251853 | 0.70 | MAPT (0.57) | CDK1CDK2PDE10AALDH1A1HTT | |
| SCHEMBL18960406 | 0.69 | CHEK2 (0.43) | HRH4 | |
| SCHEMBL18344077 | 0.69 | NPC1 (0.47) | CDK1CDK2PDE10AALDH1A1MAPT | |
| SCHEMBL18344021 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004092181-A9 | HETEROCYCLIC MCHR1 ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 2005-01-27 | — | — | WO | disclosed |