Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CHKA | P35790 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 5/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21987885 | 0.94 | ALDH1A1 (0.50) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL10071629 | 0.93 | CYP2C19 (0.52) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL19313224 | 0.93 | CYP2C19 (0.52) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL26052510 | 0.91 | CYP2C19 (0.55) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL28318832 | 0.91 | CYP2C19 (0.55) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL14108153 | 0.89 | CYP2C19 (0.57) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| Diphenylmethane SCHEMBL15275153 | 0.89 | CYP2C19 (0.57) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL12047759 | 0.89 | ALDH1A1 (0.48) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL10042882 | 0.89 | ALDH1A1 (0.48) | CYP2C19ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL12048237 | 0.89 | ALDH1A1 (0.48) | CYP2C19ALDH1A1CYP3A4TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-20120007072-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT | MERCK PATENT GMBH (DE) | 2012-01-12 | — | — | US | disclosed |