Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.35 |
| ▸ | USP2 | O75604 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.35 |
| ▸ | CASP1 | P29466 | 7/20 | 0.35 |
| ▸ | CASP7 | P55210 | 7/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 7/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.35 |
| ▸ | SLC2A3 | P11169 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 4/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11946145 | 0.89 | CYP3A4 (0.34) | ALDH1A1USP2CYP1A2CYP3A4CASP1 | |
| SCHEMBL17058484 | 0.84 | NPBWR1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2C9TP53 | |
| SCHEMBL14899899 | 0.81 | USP2 (0.35) | ALDH1A1USP2CYP1A2CYP3A4CASP1 | |
| SCHEMBL11946143 | 0.81 | POLB (0.39) | ALDH1A1USP2CYP1A2CYP3A4CASP1 | |
| SCHEMBL11944445 | 0.80 | POLB (0.46) | ALDH1A1CYP3A4TSHRTP53MCHR1 | |
| SCHEMBL11945444 | 0.80 | MAPT (0.44) | ALDH1A1CYP3A4LMNACYP2C19KMT2A | |
| SCHEMBL14899778 | 0.80 | MCHR1 (0.42) | ALDH1A1CYP1A2CYP3A4CYP2C9MCHR1 | |
| SCHEMBL17058279 | 0.80 | SLC2A1 (0.36) | ALDH1A1USP2CYP1A2CYP3A4CASP1 | |
| SCHEMBL11946144 | 0.80 | POLB (0.39) | ALDH1A1USP2CYP1A2CYP3A4CASP1 | |
| SCHEMBL11946141 | 0.80 | POLB (0.39) | ALDH1A1USP2CYP1A2CYP3A4CASP1 |
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-2137179-B1 | PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS | MERCK SHARP & DOHME (US) | 2015-09-02 | — | — | EP | disclosed |