Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 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 | |
|---|---|---|---|---|
| SCHEMBL6949968 | 0.84 | CA1 (0.43) | KDM4EGAAALDH1A1MAPTHPGD | |
| SCHEMBL28806765 | 0.80 | ALDH1A1 (0.34) | ALDH1A1HPGDTDP1HTR2CMEN1 | |
| SCHEMBL21994346 | 0.78 | KDM1A (0.40) | KDM4EALDH1A1MAPTHPGDHTT | |
| SCHEMBL2466948 | 0.76 | — | — | |
| SCHEMBL3470484 | 0.76 | MEN1 (0.37) | GAAALDH1A1MAPTHPGDHTT | |
| SCHEMBL28231919 | 0.74 | ERBB2 (0.35) | KDM4EGAAALDH1A1MAPTHPGD | |
| SCHEMBL27893873 | 0.74 | ALDH1A1 (0.34) | KDM4EALDH1A1MAPTHPGDMEN1 | |
| SCHEMBL28437775 | 0.73 | MEN1 (0.42) | ALDH1A1MEN1KMT2ANPC1 | |
| Ethylene SCHEMBL27830648 | 0.73 | MEN1 (0.35) | ALDH1A1HTTMEN1KMT2ANPC1 | |
| SCHEMBL27895796 | 0.72 | ALDH1A1 (0.30) | ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0874629-A4 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | DU PONT MERCK PHARMA (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0874629-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997023212-A1 | ISOXAZOLINE, ISOTHIAZOLINE AND PYRAZOLINE FACTOR Xa INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-07-03 | — | — | WO | disclosed |