Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 14/20 | 0.47 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2437881 | 1.00 | MCL1 (0.47) | MCL1UCHL1P2RX3 | |
| SCHEMBL2434896 | 0.89 | P2RX3 (0.50) | MCL1UCHL1P2RX3 | |
| SCHEMBL192535 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL29015574 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL252870 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL23452261 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL6842708 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL192536 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL9544995 | 0.88 | MCL1 (0.51) | MCL1UCHL1P2RX3 | |
| SCHEMBL3188935 | 0.88 | IKBKB (0.44) | MCL1UCHL1P2RX3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |