Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.37 |
| ▸ | RAB9A | P51151 | 6/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18816303 | 0.96 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL18150300 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL29657016 | 0.95 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL23780954 | 0.92 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL28429971 | 0.92 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL18816302 | 0.91 | ALDH1A1 (0.51) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL746513 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL4392641 | 0.88 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL15800384 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 | |
| SCHEMBL20979810 | 0.86 | ALDH1A1 (0.60) | ALDH1A1CYP3A4TDP1KDM4ECYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5747205-A | STARBURST AROMATIC AMINES | XEROX CORPORATION (US) | 1998-05-05 | — | — | US | claimed |
| US-5891587-A | ORGANIC ELECTROLUMINESCENT DEVICE COMPRISED OF ANODE, CATHODE, STARBURST AROMATIC AMINE COMPOUND | XEROX CORPORATION (US) | 1999-04-06 | — | — | US | disclosed |
| US-5747205-A | STARBURST AROMATIC AMINES | XEROX CORPORATION (US) | 1998-05-05 | — | — | US | disclosed |