Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | CTSG | P08311 | 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 | |
|---|---|---|---|---|
| SCHEMBL5389348 | 0.79 | CYP1A2 (0.54) | ESR1ACP3MAPTALDH1A1CYP1A2 | |
| SCHEMBL23031987 | 0.79 | ESR1 (0.42) | ESR1ACP3MAPTHSP90AA1GPR55 | |
| SCHEMBL9276040 | 0.78 | ESR1 (0.41) | ESR1ACP3MAPTHSP90AA1GPR55 | |
| SCHEMBL11457391 | 0.78 | KMT2A (0.46) | MAPTHSP90AA1GPR55ALDH1A1NPC1 | |
| SCHEMBL23031990 | 0.74 | ACP3 (0.47) | ESR1ACP3MAPTHSP90AA1GPR55 | |
| SCHEMBL31198070 | 0.74 | TDP1 (0.44) | ESR1ALDH1A1NPC1MEN1KMT2A | |
| SCHEMBL24027317 | 0.70 | PPARG (0.39) | MAPTHSP90AA1GPR55ALDH1A1NPC1 | |
| SCHEMBL8129146 | 0.69 | ACP3 (0.46) | ESR1ACP3MAPTALDH1A1NPC1 | |
| SCHEMBL76634 | 0.69 | ACP3 (0.46) | ESR1ACP3MAPTALDH1A1NPC1 | |
| SCHEMBL5925059 | 0.69 | ACP3 (0.46) | ESR1ACP3MAPTALDH1A1NPC1 |
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-4235620-A | Azolyl-substituted unsaturated ketones and herbicidal use thereof | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-11-25 | — | — | US | disclosed |