Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA7 | P43166 | 5/20 | 0.49 |
| ▸ | CA9 | Q16790 | 5/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.49 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL113705 | 0.88 | CYP1A2 (0.63) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8925052 | 0.86 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2CYP3A4ALDH1A1POLB | |
| SCHEMBL8923775 | 0.86 | CYP1A2 (0.50) | CYP1A2SMN1; SMN2TDP1ALDH1A1POLB | |
| SCHEMBL8924996 | 0.85 | CYP1A2 (0.49) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8924145 | 0.85 | CYP1A2 (0.49) | CYP1A2SMN1; SMN2CYP3A4ALDH1A1POLB | |
| SCHEMBL8924456 | 0.84 | CYP1A2 (0.47) | CYP1A2SMN1; SMN2ALDH1A1POLBMAPK1 | |
| SCHEMBL12161238 | 0.82 | CYP1A2 (0.56) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL15892265 | 0.82 | CYP1A2 (0.56) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL12161172 | 0.81 | CYP1A2 (0.54) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL6202564 | 0.79 | CYP1A2 (0.53) | CYP1A2SMN1; SMN2ALDH1A1POLBMAPK1 |
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-5639770-A | SUPEROXIDE INHIBITOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-06-17 | — | — | US | disclosed |
| EP-0600092-A1 | THIAZOLE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-08 | — | — | EP | disclosed |