Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 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 | |
|---|---|---|---|---|
| SCHEMBL19412475 | 0.83 | CYP2A6 (0.44) | CYP1A2CYP2A6NQO1HSD17B1HSD17B2 | |
| SCHEMBL10102350 | 0.83 | APP (0.55) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15802586 | 0.81 | ATM (0.47) | CYP1A2CYP2A6NQO1HSD17B1HSD17B2 | |
| SCHEMBL9332942 | 0.81 | APP (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9743076 | 0.81 | APP (0.59) | CYP1A2CYP2A6NQO1HSD17B1HSD17B2 | |
| SCHEMBL9744218 | 0.81 | ESR1 (0.50) | CYP1A2CYP2A6NQO1HPGDSAPP | |
| SCHEMBL23843579 | 0.80 | CHRM2 (0.57) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11470578 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2A6NQO1HSD17B1HSD17B2 | |
| SCHEMBL9743507 | 0.79 | FFAR1 (0.46) | CYP1A2CYP2A6NQO1AKR1C3AKR1C2 | |
| SCHEMBL9743365 | 0.78 | AHR (0.53) | CYP1A2CYP2A6CA12CA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008024784-A1 | ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS | ARRAY BIOPHARMA, INC. (US) | 2008-02-28 | — | — | WO | disclosed |