Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | TACR1 | P25103 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7365183 | 0.88 | TACR1 (0.60) | TACR1ALDH1A1POLBTHRBCYP2C9 | |
| SCHEMBL9487298 | 0.85 | TP53 (0.61) | TP53TACR1ALDH1A1POLBMMP8 | |
| SCHEMBL9487303 | 0.85 | TP53 (0.61) | TP53TACR1ALDH1A1POLBMMP8 | |
| SCHEMBL9146870 | 0.83 | TP53 (0.60) | TP53TACR1ALDH1A1POLBTHRB | |
| SCHEMBL9385733 | 0.83 | TP53 (0.60) | TP53TACR1ALDH1A1POLBTHRB | |
| SCHEMBL11559927 | 0.83 | TP53 (0.60) | TP53TACR1ALDH1A1POLBMMP8 | |
| SCHEMBL9146866 | 0.83 | TP53 (0.60) | TP53TACR1ALDH1A1POLBTHRB | |
| SCHEMBL9385728 | 0.83 | TP53 (0.60) | TP53TACR1ALDH1A1POLBTHRB | |
| SCHEMBL7365767 | 0.83 | MME (0.55) | — | |
| SCHEMBL9488182 | 0.82 | TP53 (0.59) | TP53TACR1ALDH1A1POLBMMP8 |
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-1001973-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006433-A1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |