Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | FABP2 | P12104 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL38133 | 0.89 | ALDH1A1 (0.58) | SRD5A2MAPK1HPGDTSHRALDH1A1 | |
| SCHEMBL14902 | 0.82 | — | — | |
| SCHEMBL678585 | 0.82 | ALDH1A1 (0.69) | TSHRALDH1A1CYP1A2MAOBHSD17B10 | |
| SCHEMBL10697158 | 0.82 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL1681512 | 0.82 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL51827 | 0.82 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL9065412 | 0.82 | SRD5A2 (0.80) | SRD5A2MAPK1HPGDCES2CES1 | |
| SCHEMBL39787 | 0.81 | ALDH1A1 (0.61) | SRD5A2HPGDCES2CES1TSHR | |
| SCHEMBL3565290 | 0.81 | HSD17B10 (0.70) | SRD5A2MAPK1HPGDCES2CES1 | |
| Methyl Alcohol SCHEMBL27519849 | 0.80 | ALDH1A1 (0.58) | TSHRALDH1A1CYP1A2MAOBHSD17B10 |
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-1030682-C | Method for preparating N-aryl-3-aryl-4.5-dihydro-IH-pyrazole-l-carboxamides | ROHM AND HASS CORP (US) | 1996-01-17 | — | — | CN | disclosed |