Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 4/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4710118 | 1.00 | NPC1 (0.56) | NPC1RAB9ACYP2C19CYP1A2POLB | |
| SCHEMBL22939705 | 0.85 | ALDH1A1 (0.50) | NPC1RAB9ACYP2C19CYP1A2POLB | |
| SCHEMBL28816836 | 0.85 | L3MBTL1 (0.49) | NPC1RAB9APOLBALDH1A1HPGD | |
| SCHEMBL9000431 | 0.84 | MAPT (0.46) | NPC1RAB9ACYP2C19CYP1A2POLB | |
| SCHEMBL4711172 | 0.83 | GRM4 (0.57) | NPC1RAB9ACYP2C19ALDH1A1GRM4 | |
| SCHEMBL4711170 | 0.83 | GRM4 (0.57) | NPC1RAB9ACYP2C19ALDH1A1GRM4 | |
| SCHEMBL2597810 | 0.82 | GRM4 (0.61) | NPC1RAB9ACYP2C19CYP1A2POLB | |
| SCHEMBL2597811 | 0.82 | GRM4 (0.61) | NPC1RAB9ACYP2C19CYP1A2POLB | |
| SCHEMBL4713611 | 0.80 | GRM4 (0.62) | NPC1RAB9ACYP2C19ALDH1A1GRM4 | |
| SCHEMBL4713613 | 0.80 | GRM4 (0.62) | NPC1RAB9ACYP2C19ALDH1A1GRM4 |
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 |