Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.43 |
| ▸ | ALDH1A3 | P47895 | 6/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15659545 | 0.84 | CYP2A6 (0.41) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL7124340 | 0.83 | ALDH1A1 (0.46) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL14709469 | 0.80 | ALDH1A1 (0.43) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL10124488 | 0.80 | TP53 (0.41) | ALDH1A1TDP1TSHRPTGS2 | |
| SCHEMBL19823847 | 0.80 | ALDH1A1 (0.43) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL16501313 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL20861957 | 0.77 | ALDH1A1 (0.41) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL29951708 | 0.76 | KDM4E (0.57) | ALDH1A1TDP1HSD17B10KDM4EPTGS2 | |
| SCHEMBL22339079 | 0.76 | ALDH1A1 (0.43) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 | |
| SCHEMBL21836002 | 0.76 | SRC (0.56) | ALDH1A1ALDH1A3CYP2A6TDP1HSD17B10 |
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-2004037176-A2 | QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-06 | — | — | 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 |
| WO-2003048081-A2 | GLYCINAMIDES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-06-12 | — | — | WO | disclosed |
| WO-2003026652-A1 | LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-04-03 | — | — | WO | disclosed |