Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CPA1 | P15085 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6809346 | 0.81 | CHRM2 (0.42) | CHRM2CHRM1CHRM3CYP1A2CPA1 | |
| SCHEMBL7512178 | 0.73 | CYP2C19 (0.37) | TAAR1 | |
| SCHEMBL1436980 | 0.68 | TAAR1 (0.36) | TAAR1CYP1A2 | |
| SCHEMBL7512168 | 0.68 | TAAR1 (0.32) | TAAR1CYP1A2 | |
| SCHEMBL7512186 | 0.66 | NPSR1 (0.46) | — | |
| SCHEMBL27735789 | 0.65 | CYP1A2 (0.41) | CYP1A2CPA1 | |
| SCHEMBL17321300 | 0.64 | TSHR (0.41) | TAAR1 | |
| SCHEMBL8331186 | 0.64 | CYP19A1 (0.42) | CYP1A2CPA1 | |
| SCHEMBL28483321 | 0.63 | CYP1A2 (0.46) | CHRM2CHRM1CHRM3CYP1A2 | |
| SCHEMBL28094845 | 0.63 | TSHR (0.45) | CYP1A2CPA1 |
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 |