Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.58 |
| ▸ | ADH1C | P00326 | 1/20 | 0.58 |
| ▸ | ADH1A | P07327 | 1/20 | 0.58 |
| ▸ | ADH7 | P40394 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5539505 | 0.86 | LMNA (0.50) | ADH1BADH1CADH1AADH7KMT2A | |
| SCHEMBL5546127 | 0.86 | ADH1B (0.44) | ADH1BADH1CADH1AADH7KMT2A | |
| SCHEMBL5534736 | 0.86 | PLA2G1B (0.49) | ADH1BADH1CADH1AADH7KMT2A | |
| SCHEMBL5544677 | 0.86 | L3MBTL1 (0.45) | ADH1BADH1CADH1AADH7TDP1 | |
| SCHEMBL5542584 | 0.86 | SMN1; SMN2 (0.49) | ADH1BADH1CADH1AADH7KMT2A | |
| SCHEMBL5545644 | 0.82 | ACHE (0.48) | ADH1BADH1CADH1AADH7IDO1 | |
| SCHEMBL5541612 | 0.81 | KDM1A (0.47) | ADH1BADH1CADH1AADH7IDO1 | |
| SCHEMBL5541903 | 0.81 | IDO1 (0.41) | ADH1BADH1CADH1AADH7IDO1 | |
| SCHEMBL5536817 | 0.81 | NFE2L2 (0.47) | IDO1MAPTMAOAPOLB | |
| SCHEMBL5537515 | 0.81 | RAB9A (0.48) | ADH1BADH1CADH1AADH7KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | claimed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | claimed |
| WO-1995011681-A1 | HUMAN ADENOSINE RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-05-04 | — | — | WO | claimed |
| US-6015789-A | LUTEINIZING HORMONE RELEASING HORMONE AGONIST AND A LUTEINIZING HORMONE RELEASING HORMONE ANTAGONIST IN COMBINATION, | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-01-18 | — | — | US | disclosed |
| WO-1995011681-A1 | HUMAN ADENOSINE RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1995-05-04 | — | — | WO | disclosed |