Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.54 |
| ▸ | ERN1 | O75460 | 1/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCND1 | P24385 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18331478 | 0.88 | MRGPRX4 (0.47) | S1PR5ERN1MRGPRX4SMN1; SMN2NPC1 | |
| SCHEMBL10826146 | 0.85 | SLC2A1 (0.54) | SMN1; SMN2NPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL4448923 | 0.85 | S1PR5 (0.42) | S1PR5ERN1SMN1; SMN2MAPTLMNA | |
| SCHEMBL31019272 | 0.81 | ALDH1A1 (0.57) | S1PR5ERN1MRGPRX4SMN1; SMN2NPC1 | |
| SCHEMBL5783643 | 0.81 | APP (0.47) | SMN1; SMN2NPC1MAPTRAB9AL3MBTL1 | |
| SCHEMBL1463088 | 0.81 | ALDH1A1 (0.57) | S1PR5ERN1MRGPRX4SMN1; SMN2NPC1 | |
| SCHEMBL4704085 | 0.81 | FFAR4 (0.63) | MRGPRX4SMN1; SMN2NPC1MAPTRAB9A | |
| SCHEMBL2304623 | 0.81 | KDM1A (0.46) | NPC1LMNAHPGDCCNB2CDK1 | |
| SCHEMBL3777246 | 0.81 | S1PR5 (0.53) | S1PR5ERN1MRGPRX4SMN1; SMN2NPC1 | |
| SCHEMBL3238005 | 0.81 | S1PR5 (0.53) | S1PR5ERN1MRGPRX4SMN1; SMN2NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008128166-A1 | DEUTERATED DERIVATIVES OF 4-(6-FLUORO-1, 2-BENZISOXAZOL-3-YL) PIPERIDINE COMPOUNDS | CONCERT PHARMACEUTICALS INC. (US) | 2008-10-23 | — | — | WO | disclosed |