Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL10492874 | 0.89 | TDP1 (0.39) | CYP3A4ALDH1A1ALOX15TDP1 | |
| SCHEMBL8130850 | 0.89 | CYP3A4 (0.43) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| Dimethylamine SCHEMBL10775328 | 0.84 | CYP3A4 (0.39) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL10492513 | 0.83 | TYR (0.43) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL10492740 | 0.81 | CYP1A2 (0.39) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL25998080 | 0.77 | ALDH1A1 (0.35) | CYP3A4TSHRMAPK1ALDH1A1CYP1A2 | |
| SCHEMBL22044345 | 0.77 | TP53 (0.45) | CYP3A4TSHRALDH1A1ALOX15HSD17B10 | |
| SCHEMBL6403658 | 0.76 | ALDH1A1 (0.33) | CYP3A4TSHRALDH1A1CYP1A2TDP1 | |
| SCHEMBL743578 | 0.74 | CYP3A4 (0.45) | CYP3A4TSHRMAPK1ALDH1A1TDP1 | |
| SCHEMBL29278568 | 0.74 | CYP3A4 (0.45) | CYP3A4TSHRMAPK1ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998025888-A1 | PROCESS FOR PREPARING ISOCYANATES FROM PRIMARY AMINES WHICH ARE NOT READILY DISSOLVED | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-18 | — | — | WO | disclosed |