Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 11/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Pentachlorobenzene SCHEMBL183144 | 0.75 | CYP3A4 (1.00) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL11455164 | 0.75 | CYP3A4 (1.00) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| SCHEMBL17552675 | 0.73 | ALDH1A1 (0.61) | CYP3A4HPGDHSD17B10TSHRALDH1A1 | |
| Pentachlorobenzene SCHEMBL27732715 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL28280575 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL27458674 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL29897265 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL27484054 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL1445743 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 | |
| Pentachlorobenzene SCHEMBL27699552 | 0.72 | CYP3A4 (0.92) | CYP3A4HPGDHSD17B10TSHRHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0128721-B1 | SILICA-MODIFIED CATALYST AND USE FOR SELECTIVE PRODUCTION OF PARA-DIALKYL SUBSTITUTED BENZENES | MOBIL OIL CORPORATION (US) | 1989-07-26 | — | — | EP | claimed |
| US-4824753-A | CONTAINING SILICON AND/OR FLUORINE | MINOLTA CAMERA KABUSHIKI KAISHA (JP) | 1989-04-25 | — | — | US | disclosed |