Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28044324 | 0.76 | CYP1A2 (0.82) | CYP1A2KDM4EMEN1KMT2AMAOB | |
| SCHEMBL28044304 | 0.76 | CYP2D6 (0.51) | CYP1A2KDM4EMAOBMAPTCASP3 | |
| SCHEMBL4450673 | 0.76 | KDM4E (0.67) | CYP1A2KDM4EMAOBMAPTCASP3 | |
| SCHEMBL29233642 | 0.75 | CYP1A2 (0.84) | CYP1A2KDM4EMEN1KMT2AMAOB | |
| SCHEMBL29233586 | 0.74 | CYP1A2 (0.71) | CYP1A2KDM4EKMT2AMAOBMAOA | |
| SCHEMBL29233565 | 0.73 | CYP1A2 (0.72) | CYP1A2KDM4EKMT2AMAOBMAOA | |
| SCHEMBL29233560 | 0.72 | ACHE (0.77) | CYP1A2KDM4ELMNAMEN1KMT2A | |
| SCHEMBL31367874 | 0.72 | CYP2D6 (0.59) | CYP1A2KDM4ELMNAMEN1KMT2A | |
| SCHEMBL1287537 | 0.72 | ALDH1A1 (0.66) | CYP1A2KDM4ELMNAMAOBMAPT | |
| SCHEMBL178096 | 0.72 | ALDH1A1 (0.66) | CYP1A2KDM4ELMNAMAOBMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-103130705-B | Benzo five-membered unsaturated heterocycle compound or its pharmaceutical salts and preparation method thereof, pharmaceutical composition and application thereof | INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) | 2016-04-20 | — | — | CN | disclosed |