Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.43 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.36 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 9/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | LCK | P06239 | 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 | |
|---|---|---|---|---|
| SCHEMBL9357749 | 1.00 | CYP3A4 (0.50) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL48326 | 0.87 | CYP3A4 (0.56) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL6520758 | 0.81 | CYP3A4 (0.59) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL6512985 | 0.79 | CYP3A4 (0.56) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL6512992 | 0.79 | CYP3A4 (0.56) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL6511604 | 0.79 | CYP3A4 (0.56) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL9480774 | 0.73 | CYP3A4 (0.40) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| SCHEMBL16312908 | 0.69 | CYP3A4 (0.38) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| Pentachlorobenzene SCHEMBL11455164 | 0.68 | CYP3A4 (1.00) | CYP3A4HPGDHSD17B10TSHRCASP1 | |
| Pentachlorobenzene SCHEMBL183144 | 0.68 | CYP3A4 (1.00) | CYP3A4HPGDHSD17B10TSHRCASP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58105960-A | — | — | None | — | — | JP | disclosed |
| JP-6025151-A | — | — | None | — | — | JP | disclosed |
| JP-H0625151-A | PRODUCTION OF O-BENZENEDITHIOL COMPOUND | MITSUI TOATSU CHEM INC | 1994-02-01 | — | — | JP | disclosed |
| US-4508655-A | NEAR INFRARED ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1985-04-02 | — | — | US | disclosed |
| JP-S58105960-A | NOVEL HALOGEN-SUBSTITUTED O-BENZENEDITHIOL AND ITS PREPARATION | MITSUI TOATSU CHEM INC | 1983-06-24 | — | — | JP | disclosed |