Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7512192 | 0.73 | CHRM2 (0.33) | TAAR1 | |
| SCHEMBL7512168 | 0.68 | TAAR1 (0.32) | TAAR1 | |
| SCHEMBL11444270 | 0.67 | LMNA (0.41) | CYP2C19HIF1A | |
| SCHEMBL28695218 | 0.65 | HIF1A (0.47) | CYP2C19HIF1A | |
| SCHEMBL7263689 | 0.65 | CYP2C19 (0.47) | CYP2C19HIF1A | |
| SCHEMBL1436980 | 0.65 | TAAR1 (0.36) | TAAR1 | |
| SCHEMBL17321300 | 0.64 | TSHR (0.41) | TAAR1 | |
| SCHEMBL10812212 | 0.64 | ALDH1A1 (0.38) | CYP2C19HIF1A | |
| SCHEMBL1509627 | 0.63 | MAPT (0.39) | TAAR1 | |
| SCHEMBL20271630 | 0.62 | ALDH1A1 (0.35) | TAAR1 |
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-1144364-A2 | MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043354-A2 | MULTICYCLIC COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |