Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | F2 | P00734 | 3/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9091962 | 1.00 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL12572597 | 0.88 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28674512 | 0.88 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL27692485 | 0.88 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28510750 | 0.88 | ALDH1A1 (0.50) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL10378708 | 0.86 | ALDH1A1 (0.49) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL9592709 | 0.85 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL16464668 | 0.85 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28693501 | 0.85 | ALDH1A1 (0.47) | ALDH1A1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL28583480 | 0.84 | ALDH1A1 (0.44) | ALDH1A1F2PRSS1PRSS2PRSS3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832076-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996038426-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-05 | — | — | WO | disclosed |