Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UGT2B7 | P16662 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | PTPRF | P10586 | 1/20 | 0.35 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.35 |
| ▸ | PTPRB | P23467 | 1/20 | 0.35 |
| ▸ | PTPRE | P23469 | 1/20 | 0.35 |
| ▸ | PTPN6 | P29350 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8309887 | 0.83 | PTPRC (0.44) | UGT2B7CYP2D6HSD17B10TDP1CYP2A6 | |
| SCHEMBL8295490 | 0.83 | CYP2A6 (0.39) | UGT2B7HSD17B10TDP1CYP2A6CYP3A4 | |
| SCHEMBL8296114 | 0.81 | HTR2A (0.41) | UGT2B7CYP2D6TDP1CYP2A6CYP3A4 | |
| SCHEMBL8269229 | 0.80 | CYP2A6 (0.39) | CYP2A6CYP3A4SLC6A4KCNH2HTR2A | |
| SCHEMBL8295575 | 0.80 | CYP2A6 (0.39) | CYP2A6CYP3A4SLC6A4KCNH2HTR2A | |
| SCHEMBL8295481 | 0.79 | CYP2D6 (0.34) | UGT2B7CYP2D6HSD17B10TDP1CYP2A6 | |
| SCHEMBL8342321 | 0.78 | PLAU (0.40) | CYP2D6HSD17B10TDP1CYP3A4MEN1 | |
| SCHEMBL8297787 | 0.78 | PLAU (0.40) | CYP2D6HSD17B10TDP1CYP3A4MEN1 | |
| SCHEMBL8296112 | 0.78 | ROCK2 (0.38) | TDP1 | |
| SCHEMBL8296113 | 0.78 | ROCK2 (0.38) | TDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006041831-A2 | CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-20 | — | — | WO | disclosed |
| WO-2004108892-A2 | 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, β-AMINOACIDS, α-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-16 | — | — | WO | disclosed |
| WO-2004083174-A2 | SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |