Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5214954 | 0.85 | NPC1 (0.63) | NPC1MAPK3MAPK1MMP13ROCK2 | |
| SCHEMBL9561684 | 0.79 | KDM1A (0.53) | MMP13ROCK2KMT2AGAASMN1; SMN2 | |
| SCHEMBL5216536 | 0.76 | KMT2A (0.65) | NPC1MAPK1ROCK2RAB9AHPGD | |
| SCHEMBL1569143 | 0.75 | NPC1 (0.73) | NPC1MAPK3MAPK1ROCK2CYP2D6 | |
| SCHEMBL5332860 | 0.75 | NPC1 (0.72) | NPC1MAPK3MAPK1MMP13RAB9A | |
| SCHEMBL5214984 | 0.74 | CYP1A2 (0.50) | NPC1MMP13ROCK2CYP1A2CYP2C9 | |
| SCHEMBL1767368 | 0.73 | NPC1 (0.59) | NPC1MAPK3MAPK1RAB9ACYP1A2 | |
| SCHEMBL5213178 | 0.71 | CYP1A2 (0.64) | MAPK1MMP13RAB9ACYP1A2CYP2C9 | |
| SCHEMBL8358422 | 0.71 | MMP13 (0.68) | NPC1MAPK1MMP13ROCK2RAB9A | |
| SCHEMBL5213782 | 0.71 | ROCK2 (0.58) | MMP13ROCK2ADORA3ADORA2AADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-5260323-A | 2,4- and 2,5-substituted pyridine-N-oxides, processes for their preparation and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-11-09 | — | — | US | disclosed |