Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.71 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.71 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.71 |
| ▸ | HPGD | P15428 | 2/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.71 |
| ▸ | GRM5 | P41594 | 1/20 | 0.71 |
| ▸ | RAB9A | P51151 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.71 |
| ▸ | MEN1 | O00255 | 1/20 | 0.71 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | PKM | P14618 | 1/20 | 0.71 |
| ▸ | TSHR | P16473 | 1/20 | 0.71 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | THPO | P40225 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.71 |
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 | |
|---|---|---|---|---|
| SCHEMBL4711084 | 1.00 | ALDH1A1 (0.71) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL4711247 | 0.85 | KDM4E (0.76) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL4711246 | 0.85 | KDM4E (0.76) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL179801 | 0.83 | GRM4 (1.00) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL29510104 | 0.83 | GRM4 (1.00) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL350949 | 0.83 | GRM4 (1.00) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL4710426 | 0.83 | GRM4 (0.67) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL4710427 | 0.83 | GRM4 (0.67) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL4712658 | 0.82 | RAB9A (0.76) | ALDH1A1GRM4KDM4EHPGDNPC1 | |
| SCHEMBL4710048 | 0.82 | ALDH1A1 (0.71) | ALDH1A1GRM4KDM4EHPGDNPC1 |
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 3 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-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 |