Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 10/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30657662 | 0.79 | NOTUM (0.56) | NOTUMKDM4ERXFP1LMNATSHR | |
| SCHEMBL21241078 | 0.76 | NOTUM (0.49) | NOTUMKDM4ERXFP1LMNATSHR | |
| SCHEMBL18394462 | 0.76 | NOTUM (0.41) | NOTUMKDM4ERXFP1LMNATSHR | |
| SCHEMBL30289964 | 0.76 | NOTUM (0.61) | NOTUMKDM4ELMNATSHRKMT2A | |
| SCHEMBL7395744 | 0.76 | NOTUM (0.61) | NOTUMKDM4ELMNATSHRKMT2A | |
| SCHEMBL29005597 | 0.75 | KDM4E (0.58) | NOTUMKDM4ERXFP1LMNATSHR | |
| SCHEMBL29364102 | 0.75 | KDM4E (0.58) | NOTUMKDM4ERXFP1LMNATSHR | |
| SCHEMBL6190865 | 0.74 | NOTUM (0.59) | NOTUMKDM4ELMNATSHRKMT2A | |
| SCHEMBL30792106 | 0.74 | MAP4K4 (0.44) | MAP4K4MKNK1MKNK2NOS3NOS1 | |
| SCHEMBL10062975 | 0.73 | MAP4K4 (0.59) | KDM4EMAP4K4LMNATSHRKMT2A |
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-2619190-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS | Bristol-Myers Squibb Company (US) | 2013-07-31 | — | — | EP | claimed |
| WO-2012040532-A1 | SUBSTITUTED OXADIAZOLE COMPOUNDS AND THEIR USE AS S1P1 AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-29 | — | — | WO | claimed |