Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CPA3 | P15088 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11538642 | 0.79 | ALDH1A1 (0.36) | ALDH1A1HSD17B10NPSR1HPGDMTNR1A | |
| SCHEMBL12499667 | 0.77 | KMT2A (0.43) | ALDH1A1TSHRKDM4EPOLBMAPK1 | |
| SCHEMBL7538331 | 0.73 | CYP1A2 (0.44) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL11502513 | 0.73 | MTNR1A (0.56) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL5509034 | 0.73 | PPARG (0.56) | — | |
| SCHEMBL23754113 | 0.70 | FFAR1 (0.48) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL12825612 | 0.70 | MTNR1A (0.45) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL26135411 | 0.70 | FFAR1 (0.44) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL11498437 | 0.70 | NPSR1 (0.38) | ALDH1A1CYP2C19FFAR1HSD17B10NPSR1 | |
| SCHEMBL29161839 | 0.69 | HDAC3 (0.50) | ALDH1A1CYP2D6CYP2C19CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4331674-A | Combating fungi with 4-phenoxy-4-(azolyl-1-yl)-butanoic acid derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | claimed |