Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.53 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.50 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.49 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | GRM5 | P41594 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4710891 | 1.00 | CYP1A1 (0.53) | CYP1A1CYP1A2CYP1B1TRPA1NFE2L2 | |
| SCHEMBL4713415 | 0.82 | RELA (0.52) | CYP1A1CYP1A2CYP1B1NFE2L2SMN1; SMN2 | |
| SCHEMBL4713419 | 0.82 | RELA (0.52) | CYP1A1CYP1A2CYP1B1NFE2L2SMN1; SMN2 | |
| SCHEMBL18150002 | 0.81 | GRM4 (0.44) | CYP1A1CYP1A2CYP1B1TRPA1NFE2L2 | |
| SCHEMBL18150005 | 0.81 | GRM4 (0.44) | CYP1A1CYP1A2CYP1B1TRPA1NFE2L2 | |
| SCHEMBL6381048 | 0.80 | L3MBTL1 (0.45) | GRM4ALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL6381052 | 0.80 | L3MBTL1 (0.45) | GRM4ALDH1A1KDM4EHPGDNPC1 | |
| SCHEMBL4711138 | 0.80 | AHR (0.49) | CYP1A1CYP1B1TUBB1KDM4ERAB9A | |
| SCHEMBL4711139 | 0.80 | AHR (0.49) | CYP1A1CYP1B1TUBB1KDM4ERAB9A | |
| SCHEMBL3900932 | 0.78 | SRC (0.53) | PDGFRBPDGFRA |
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 |