Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | PPM1B | O75688 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3362070 | 0.96 | CYP1A2 (0.38) | CYP1A2HIF1ACHRM2CHRM4CHRM3 | |
| SCHEMBL5514614 | 0.89 | CYP1A2 (0.40) | CYP1A2HIF1ATHRBBRD4ALDH1A1 | |
| SCHEMBL3974812 | 0.86 | CYP1A2 (0.43) | CYP1A2HIF1ACHRM2CHRM4CHRM3 | |
| SCHEMBL1617437 | 0.81 | TLR4 (0.49) | SMN1; SMN2TLR4ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL12798508 | 0.79 | CYP1A2 (0.39) | CYP1A2HIF1ACHRM2CHRM4CHRM3 | |
| SCHEMBL3310290 | 0.79 | CYP1A2 (0.39) | CYP1A2HIF1ACHRM2CHRM4CHRM3 | |
| SCHEMBL14903874 | 0.79 | — | — | |
| SCHEMBL13882832 | 0.78 | CYP1A2 (0.46) | CYP1A2HIF1ABRD4SMN1; SMN2ALDH1A1 | |
| SCHEMBL11738399 | 0.76 | MAPK1 (0.33) | MAPK1 | |
| SCHEMBL14877461 | 0.75 | GAA (0.37) | MAPK1SMN1; SMN2TLR4ALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3988444-A | Novel thiazole derivatives as insecticides and acaricides | ROUSSEL-UCLAF (FR) | 1976-10-26 | — | — | US | disclosed |
| US-3948939-A | 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids | STERLING DRUG INC. (US) | 1976-04-06 | — | — | US | disclosed |
| US-3932433-A | ACRACIDES | ROUSSEL-UCLAF (FR) | 1976-01-13 | — | — | US | disclosed |
| US-3912757-A | 1,2,3,4-Tetrahydrodibenzothiophene-1-carboxylates | STERLING DRUG INC | 1975-10-14 | — | — | US | disclosed |