Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 6/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6157688 | 0.79 | CYP3A4 (0.59) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL6650177 | 0.71 | CYP3A4 (0.56) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| Pentachlorobenzene SCHEMBL11455164 | 0.66 | CYP3A4 (1.00) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| Pentachlorobenzene SCHEMBL183144 | 0.66 | CYP3A4 (1.00) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL6153603 | 0.65 | AHR (0.44) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| SCHEMBL5538140 | 0.65 | ALDH1A1 (0.53) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| Pentachlorobenzene SCHEMBL29897265 | 0.63 | CYP3A4 (0.92) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| Pentachlorobenzene SCHEMBL27699552 | 0.63 | CYP3A4 (0.92) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| Pentachlorobenzene SCHEMBL27460676 | 0.63 | CYP3A4 (0.92) | CYP3A4ALDH1A1HPGDHSD17B10TSHR | |
| Pentachlorobenzene SCHEMBL1445743 | 0.63 | CYP3A4 (0.92) | CYP3A4ALDH1A1HPGDHSD17B10TSHR |
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-4278791-A | CORROSION RESISTANCE, WETTING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |