Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | CPA1 | P15085 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8331186 | 0.80 | CYP19A1 (0.42) | CYP1A2CYP19A1ALDH1A1LMNACYP2C19 | |
| SCHEMBL26929273 | 0.77 | CYP2C19 (0.44) | CYP19A1ALDH1A1LMNACYP2C19CYP3A4 | |
| SCHEMBL1348079 | 0.77 | CYP19A1 (0.37) | CYP1A2CYP19A1ALDH1A1LMNACYP2C19 | |
| SCHEMBL26929272 | 0.74 | ALDH1A1 (0.45) | TSHRCYP19A1ALDH1A1LMNACPA1 | |
| SCHEMBL6809346 | 0.73 | CHRM2 (0.42) | CYP1A2TSHRALDH1A1LMNACYP2C19 | |
| SCHEMBL10950133 | 0.72 | TAAR1 (0.48) | ALDH1A1LMNACYP2C19FBP1CPA1 | |
| SCHEMBL8977864 | 0.72 | ALDH1A1 (0.38) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL10891703 | 0.72 | CYP1A2 (0.43) | CYP1A2TSHRCYP19A1ALDH1A1LMNA | |
| SCHEMBL9768400 | 0.72 | CYP2C19 (0.48) | ALDH1A1LMNACYP2C19FBP1CPA1 | |
| SCHEMBL10812212 | 0.72 | ALDH1A1 (0.38) | CYP19A1ALDH1A1LMNACYP2C19FBP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102718775-B | As the Macrocyclic quinazoline derivatives of antiproliferative | JANSSEN PHARMACEUTICA N.V. (BE) | 2016-02-17 | — | — | CN | disclosed |