Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22079932 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL22079668 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL22078995 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL15714522 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL22078994 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL22079560 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL22079951 | 0.98 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL22079969 | 0.98 | ALDH1A1 (0.39) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL12885917 | 0.98 | ALDH1A1 (0.41) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 | |
| SCHEMBL24999706 | 0.96 | ALDH1A1 (0.45) | ALDH1A1CYP1A2CYP3A4MAPTTDP1 |
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-3309141-A1 | ARYLAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT | Hodogaya Chemical Co., Ltd. (JP) | 2018-04-18 | — | — | EP | disclosed |