Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.43 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.43 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.43 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2858311 | 0.90 | RAB9A (0.47) | NPC1RAB9ATHRBPDK1PDK2 | |
| SCHEMBL2861646 | 0.89 | NPC1 (0.42) | NPC1RAB9ANPY5RMAPTBRAF | |
| SCHEMBL2859362 | 0.88 | P2RX1 (0.48) | NPY5RMAPTBRAFGAAKDM4E | |
| SCHEMBL2853595 | 0.86 | LMNA (0.44) | NPC1RAB9ANPY5RMAPTGAA | |
| SCHEMBL2854620 | 0.85 | CA1 (0.43) | LMNASMN1; SMN2 | |
| SCHEMBL2855496 | 0.84 | KDM4E (0.46) | NPC1RAB9ATHRBPDK1PDK2 | |
| SCHEMBL2855275 | 0.82 | MAPT (0.45) | NPC1RAB9AMAPTGAAKDM4E | |
| SCHEMBL2858606 | 0.82 | P2RY1 (0.47) | MAPTGAAKDM4ESMN1; SMN2P2RY1 | |
| SCHEMBL2857917 | 0.81 | MAPT (0.42) | NPC1RAB9ATHRBPDK1PDK2 | |
| SCHEMBL2857895 | 0.81 | GRM4 (0.48) | NPC1RAB9ATHRBPDK1PDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | claimed |