Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15014298 | 0.90 | CYP2A6 (0.42) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL2722078 | 0.88 | SIGMAR1 (0.42) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL29378684 | 0.88 | SIGMAR1 (0.42) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL23513194 | 0.87 | SIGMAR1 (0.41) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL17734610 | 0.85 | CYP2A6 (0.43) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL24604545 | 0.85 | SIGMAR1 (0.38) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL12951390 | 0.84 | SIGMAR1 (0.40) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL16638987 | 0.84 | CYP1A2 (0.36) | CYP1A2CYP2A6TSHRALDH1A1HPGD | |
| SCHEMBL18291016 | 0.84 | SIGMAR1 (0.41) | CYP1A2CYP2A6TSHRSIGMAR1ALDH1A1 | |
| SCHEMBL24514812 | 0.83 | SIGMAR1 (0.40) | CYP1A2CYP2A6SIGMAR1ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2439190-B1 | AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENTS | TOSOH CORP (JP) | 2015-04-15 | — | — | EP | disclosed |