Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL24792424 | 0.92 | CYP1A2 (0.46) | CYP1A2ALDH1A1SLC22A1MLNRNR1I2 | |
| SCHEMBL21743443 | 0.92 | CYP1A2 (0.46) | CYP1A2ALDH1A1SLC22A1MLNRNR1I2 | |
| SCHEMBL10285822 | 0.82 | CHRNB4 (0.46) | — | |
| SCHEMBL13850465 | 0.82 | CHRNB4 (0.46) | — | |
| SCHEMBL5995159 | 0.82 | CHRNB4 (0.46) | — | |
| SCHEMBL13202683 | 0.81 | CYP1A2 (0.53) | CYP1A2ALDH1A1SLC22A1MLNRNR1I2 | |
| SCHEMBL20878419 | 0.81 | CYP1A2 (0.53) | CYP1A2ALDH1A1SLC22A1MLNRNR1I2 | |
| SCHEMBL26729156 | 0.79 | CYP1A2 (0.44) | CYP1A2ALDH1A1CHRM3KCNH2CHRNB2 | |
| Iodide SCHEMBL29696253 | 0.79 | CYP1A2 (0.52) | CYP1A2ALDH1A1SLC22A1MLNRNR1I2 | |
| SCHEMBL22479354 | 0.79 | KDM4E (0.37) | CYP1A2ALDH1A1SIGMAR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3409669-B1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | ARIAD PHARMA INC (US) | 2020-10-07 | — | — | EP | disclosed |
| US-5401740-A | FOR INHIBITING PLATELET AGGREGATION | OTSUKA PHARMACEUTICAL CO. (JP) | 1995-03-28 | — | — | US | disclosed |
| US-5227381-A | Anticoagulant | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1993-07-13 | — | — | US | disclosed |
| EP-0450066-A1 | CARBOSTYRIL DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-10-09 | — | — | EP | disclosed |