Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 5/20 | 0.44 |
| ▸ | CA1 | P00915 | 5/20 | 0.44 |
| ▸ | CA2 | P00918 | 5/20 | 0.44 |
| ▸ | CA7 | P43166 | 5/20 | 0.44 |
| ▸ | CA9 | Q16790 | 5/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TARBP2 | Q15633 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL5434830 | 0.98 | CYP1A2 (0.45) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL1301427 | 0.78 | CYP1A2 (0.77) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL31236724 | 0.78 | CA12 (0.49) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL25248606 | 0.78 | CA12 (0.49) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8922334 | 0.74 | CYP1A2 (0.51) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL18132220 | 0.73 | CYP1A2 (0.59) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL6202564 | 0.72 | CYP1A2 (0.53) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL27972725 | 0.72 | MAPT (0.50) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL6201965 | 0.71 | POLB (0.47) | CYP1A2NPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL16600772 | 0.70 | GRIN2B (0.42) | — |
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 |