Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 3/20 | 0.53 |
| ▸ | AKT1 | P31749 | 5/20 | 0.49 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 2/20 | 0.39 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29644467 | 0.88 | NOTUM (0.57) | NOTUMAKT1ROCK2ROCK1BIRC2 | |
| SCHEMBL6543338 | 0.88 | NOTUM (0.57) | NOTUMAKT1ROCK2ROCK1BIRC2 | |
| SCHEMBL6543796 | 0.83 | NOTUM (0.54) | NOTUMAKT1ROCK2ROCK1BIRC2 | |
| SCHEMBL19750130 | 0.83 | NOTUM (0.68) | NOTUMAKT1HTR3EHTR3BHTR3A | |
| SCHEMBL30232786 | 0.83 | NOTUM (0.63) | NOTUMAKT1ROCK2ROCK1HDAC1 | |
| SCHEMBL1572534 | 0.83 | NOTUM (0.63) | NOTUMAKT1ROCK2ROCK1HDAC1 | |
| SCHEMBL655024 | 0.81 | NOTUM (0.80) | NOTUMAKT1ROCK2ROCK1HDAC1 | |
| SCHEMBL6543487 | 0.81 | NOTUM (0.55) | NOTUMAKT1ROCK2ROCK1HDAC1 | |
| SCHEMBL1713780 | 0.81 | NOTUM (0.57) | NOTUMAKT1ROCK2ROCK1BIRC2 | |
| Hydrochloric Acid SCHEMBL2257588 | 0.80 | NOTUM (0.78) | NOTUMAKT1ROCK2ROCK1HDAC1 |
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-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |