Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | HBB | P68871 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8296114 | 0.84 | HTR2A (0.41) | CYP2A6TDP1HTR2AHTR2CHTR2B | |
| SCHEMBL8269232 | 0.83 | UGT2B7 (0.39) | CYP2A6TDP1HTR2AHTR2CHTR2B | |
| SCHEMBL11509499 | 0.79 | CYP2A6 (0.46) | CYP2A6TDP1HTR2AHTR2CHTR2B | |
| SCHEMBL8295481 | 0.78 | CYP2D6 (0.34) | CYP2A6TDP1HTR2AHTR2CHTR2B | |
| SCHEMBL9371840 | 0.77 | CYP2A6 (0.39) | CYP2A6TDP1CYP1A2BRD4ALDH1A1 | |
| SCHEMBL8309887 | 0.77 | PTPRC (0.44) | CYP2A6TDP1CYP1A2BRD4ALDH1A1 | |
| SCHEMBL8295503 | 0.75 | CYP1A2 (0.39) | CYP2A6CYP1A2ALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL29518518 | 0.74 | CYP2A6 (0.55) | CYP2A6TDP1CYP1A2BRD4ALDH1A1 | |
| SCHEMBL234439 | 0.74 | CYP2A6 (0.55) | CYP2A6TDP1CYP1A2BRD4ALDH1A1 | |
| SCHEMBL754453 | 0.72 | CYP3A4 (0.41) | TDP1CYP1A2ALDH1A1CYP3A4TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |