Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.64 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NCK1 | P16333 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL425085 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| SCHEMBL29399131 | 0.80 | CYP1A2 (1.00) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| SCHEMBL9005232 | 0.79 | CYP2A6 (0.67) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| SCHEMBL13223083 | 0.78 | CYP2A6 (0.52) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL27919194 | 0.77 | CYP2A6 (0.93) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL27326113 | 0.75 | CYP1A2 (0.88) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| SCHEMBL237392 | 0.75 | — | — | |
| SCHEMBL20342334 | 0.74 | CYP2A6 (0.71) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| SCHEMBL1818017 | 0.73 | CYP1A2 (0.50) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 | |
| SCHEMBL21081668 | 0.73 | CYP2A6 (0.68) | CYP1A2CYP2A6TDP1HSD17B10ALDH1A1 |
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-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |