Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | ATP4A | P20648 | 2/20 | 0.32 |
| ▸ | ATP4B | P51164 | 2/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.30 |
| ▸ | IDO1 | P14902 | 4/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL10504825 | 0.76 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2CYP3A4ALOX15ATP4A | |
| SCHEMBL36019 | 0.72 | CYP3A4 (0.53) | ARALDH1A1SMN1; SMN2CYP3A4ALOX15 | |
| SCHEMBL29373097 | 0.72 | CYP3A4 (0.53) | ARALDH1A1SMN1; SMN2CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL9382673 | 0.71 | TAAR1 (0.46) | ARSMN1; SMN2CYP1A2 | |
| SCHEMBL10505088 | 0.70 | AR (0.44) | ARALDH1A1SMN1; SMN2ATP4AATP4B | |
| SCHEMBL10505415 | 0.70 | AR (0.44) | ARATP4AATP4BYTHDC1 | |
| SCHEMBL9719138 | 0.70 | CYP3A4 (0.50) | ARALDH1A1SMN1; SMN2CYP3A4ALOX15 | |
| Hydrochloric Acid SCHEMBL11743462 | 0.70 | CYP3A4 (0.50) | ARALDH1A1SMN1; SMN2CYP3A4ALOX15 | |
| Ammonia Solution, Strong SCHEMBL9517239 | 0.70 | CYP3A4 (0.50) | ARALDH1A1SMN1; SMN2CYP3A4ALOX15 | |
| SCHEMBL1759362 | 0.70 | CYP3A4 (0.50) | ARALDH1A1SMN1; SMN2CYP3A4ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-4595535-A | Schizophrenia | CIBA-GEIGY CORPORATION (US) | 1986-06-17 | — | — | US | disclosed |
| EP-0129509-A2 | Triazolo (2,3-c)(1,3)benzodiazepines, process for their preparation, pharmaceutical compositions containing them and their therapeutical use | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |