Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.59 |
| ▸ | LTA4H | P09960 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
| ▸ | CA7 | P43166 | 1/20 | 0.57 |
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | SCN1A | P35498 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL2077599 | 0.87 | NPC1 (0.58) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL3398830 | 0.84 | LTA4H (0.75) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL113405 | 0.84 | LTA4H (0.63) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL19145673 | 0.82 | LTA4H (0.59) | HRH3LTA4HKCNH2KDM4EPSMB1 | |
| SCHEMBL11876984 | 0.81 | NPC1 (0.70) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL5785769 | 0.81 | GAA (0.60) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL14577989 | 0.81 | NPC1 (0.69) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL14368318 | 0.80 | CA12 (0.58) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL12764930 | 0.80 | ALDH1A1 (0.61) | NPC1RAB9AHRH3LTA4HCA12 | |
| SCHEMBL11882168 | 0.80 | KDM4E (0.62) | NPC1RAB9AHRH3LTA4HCA12 |
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-2247591-A1 | PYRROLO [2, 3-D]PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS | Novartis AG (CH) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009098236-A1 | PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS | NOVARTIS AG (CH) | 2009-08-13 | — | — | WO | disclosed |