Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | PTPRF | P10586 | 1/20 | 0.33 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.33 |
| ▸ | PTPRE | P23469 | 1/20 | 0.33 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.33 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8295489 | 0.79 | CYP1A2 (0.34) | CYP2D6CYP3A4CYP2A6CYP1A2 | |
| SCHEMBL8269232 | 0.79 | UGT2B7 (0.39) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8295490 | 0.78 | CYP2A6 (0.39) | CYP3A4SLC6A2SLC6A4SLC6A3TDP1 | |
| SCHEMBL8296114 | 0.76 | HTR2A (0.41) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8309887 | 0.74 | PTPRC (0.44) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11509499 | 0.71 | CYP2A6 (0.46) | CYP3A4SLC6A2TDP1HTR2AHTR2C | |
| SCHEMBL10399955 | 0.70 | MMP9 (0.35) | CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL9371840 | 0.70 | CYP2A6 (0.39) | TDP1CYP2A6UGT2B7CYP1A2BRD4 | |
| SCHEMBL234439 | 0.67 | CYP2A6 (0.55) | TDP1CYP2A6CYP1A2BRD4 | |
| SCHEMBL29518518 | 0.67 | CYP2A6 (0.55) | TDP1CYP2A6CYP1A2BRD4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-2004083177-A2 | LINEAR CHAIN SUBSTITUTED MONOCYCLIC AND BICYCLIC DERIVATIVES AS FACTOR XA INHIBITORS | BRYSTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | 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 |
| WO-2004031145-A2 | LACTAM-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-04-15 | — | — | WO | disclosed |