Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10771350 | 0.83 | TDP1 (0.42) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL22636966 | 0.80 | AR (0.42) | ALDH1A1CYP3A4ALOX15TSHRMAPK1 | |
| SCHEMBL31510262 | 0.79 | TDP1 (0.47) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL8043011 | 0.79 | TDP1 (0.47) | ALDH1A1CYP3A4ALOX15TSHRTDP1 | |
| SCHEMBL1192664 | 0.79 | NPSR1 (0.48) | ALDH1A1CYP3A4ALOX15TSHRHPGD | |
| SCHEMBL8043013 | 0.77 | MAPK1 (0.41) | ALDH1A1CYP3A4ALOX15TSHRMAPK1 | |
| SCHEMBL8090673 | 0.76 | SERPINE1 (0.55) | ALDH1A1MAPK1HTTLMNAMAPT | |
| SCHEMBL8200499 | 0.75 | ALDH1A1 (0.55) | ALDH1A1TSHRTDP1HTTLMNA | |
| SCHEMBL8031072 | 0.75 | POLB (0.40) | ALDH1A1MAPK1HTTLMNASMN1; SMN2 | |
| SCHEMBL16729388 | 0.75 | ALDH1A1 (0.42) | ALDH1A1CYP3A4ALOX15TSHRTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1184191-C | Fluoro substituted diphenylamine devirant | ZHEJIANG PROVINCIAL INST OF CH (CN) | 2005-01-12 | — | — | CN | claimed |
| CN-1333205-A | Fluoro substituted diphenylamine devirant | ZHEJIANG PROVINCIAL INST OF CH (CN) | 2002-01-30 | — | — | CN | claimed |