Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | SLC11A2 | P49281 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713246 | 1.00 | NPC1 (0.53) | NPC1RAB9AHTTPPARGALDH1A1 | |
| SCHEMBL708541 | 0.84 | NPC1 (0.55) | NPC1RAB9AALDH1A1PTGS1PTGS2 | |
| SCHEMBL510062 | 0.84 | NPC1 (0.55) | NPC1RAB9AALDH1A1PTGS1PTGS2 | |
| SCHEMBL9953407 | 0.84 | PPARG (0.66) | NPC1RAB9APPARGALDH1A1CA12 | |
| SCHEMBL8160762 | 0.84 | PPARG (0.66) | NPC1RAB9APPARGALDH1A1CA12 | |
| SCHEMBL9717146 | 0.83 | CA1 (0.66) | NPC1RAB9AHTTPPARGALDH1A1 | |
| SCHEMBL9717141 | 0.83 | CA1 (0.66) | NPC1RAB9AHTTPPARGALDH1A1 | |
| SCHEMBL10618582 | 0.83 | CA1 (0.66) | NPC1RAB9AHTTPPARGALDH1A1 | |
| SCHEMBL7562110 | 0.81 | ALDH1A1 (0.47) | NPC1RAB9APPARGALDH1A1CA12 | |
| SCHEMBL7562106 | 0.81 | ALDH1A1 (0.47) | NPC1RAB9APPARGALDH1A1CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | claimed |
| EP-0998459-A2 | PYRIDINE DERIVATIVES | Novartis AG (CH) | 2000-05-10 | — | — | EP | claimed |
| WO-1999002497-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 1999-01-21 | — | — | WO | claimed |
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | disclosed |
| US-6656957-B1 | Marked and selective modulating, especially antagonistic, action at human metabotropic glutamate receptors (mGluRs); treatment of disorders such as epilepsy, cerebral ischemias, especially acute ischemias, spasticity etc. | NOVARTIS AG (CH) | 2003-12-02 | — | — | US | disclosed |