Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | COMT | P21964 | 13/20 | 0.47 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.37 |
| ▸ | TET1 | Q8NFU7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | ABL2 | P42684 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14816337 | 0.84 | COMT (0.60) | COMTTET2TET1ALDH1A1FAAH | |
| SCHEMBL6900202 | 0.72 | COMT (0.60) | COMTTET2TET1ALDH1A1FAAH | |
| SCHEMBL22878779 | 0.68 | COMT (0.43) | COMTALDH1A1MAPT | |
| SCHEMBL22878810 | 0.64 | COMT (0.65) | COMTTET2TET1ALDH1A1FAAH | |
| SCHEMBL27551731 | 0.60 | FAAH (0.55) | COMTTET2TET1ALDH1A1FAAH | |
| SCHEMBL22878794 | 0.60 | COMT (0.59) | COMTTET2TET1ALDH1A1HTT | |
| SCHEMBL2467409 | 0.60 | COMT (1.00) | COMTALDH1A1FAAHHSP90AA1PKM | |
| SCHEMBL6900205 | 0.58 | COMT (0.78) | COMT | |
| SCHEMBL2465251 | 0.58 | COMT (1.00) | COMT | |
| SCHEMBL2432898 | 0.58 | COMT (0.74) | COMTTET2TET1 |
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-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |