Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA4 | P22748 | 5/20 | 0.37 |
| ▸ | CA6 | P23280 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7146270 | 0.86 | NPC1 (0.43) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL28035594 | 0.83 | NPC1 (0.44) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL2436086 | 0.83 | NPC1 (0.41) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL28136122 | 0.83 | NPC1 (0.41) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL2302905 | 0.83 | NPC1 (0.41) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL3823075 | 0.82 | NPC1 (0.43) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL28209524 | 0.81 | NPC1 (0.40) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL27462803 | 0.81 | NPC1 (0.40) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL11669057 | 0.80 | KDM4E (0.50) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL11058566 | 0.80 | KDM4E (0.50) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104781251-B | Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle | 百时美施贵宝公司 | 2016-12-14 | — | — | CN | disclosed |