Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5850900 | 0.91 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL5850602 | 0.90 | CYP1A2 (0.45) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL5851162 | 0.84 | CYP2C9 (0.41) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL5851004 | 0.77 | ALDH1A1 (0.33) | RAB9AL3MBTL1ALDH1A1TP53POLB | |
| SCHEMBL7595630 | 0.76 | CYP1A2 (0.39) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL5852560 | 0.74 | CYP2C9 (0.45) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL5850647 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL6663224 | 0.71 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL6659623 | 0.71 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A | |
| SCHEMBL7451631 | 0.69 | CYP1A2 (0.41) | CYP1A2CYP2C9CYP2C19NPY2RRAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7030114-B1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | claimed |