Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.62 |
| ▸ | RAB9A | P51151 | 5/20 | 0.62 |
| ▸ | MEN1 | O00255 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.62 |
| ▸ | DHFR | P00374 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.56 |
| ▸ | GRM5 | P41594 | 1/20 | 0.56 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL4715571 | 1.00 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2ADHFR | |
| SCHEMBL4713137 | 0.88 | NPC1 (0.64) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4713133 | 0.88 | NPC1 (0.64) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4713357 | 0.86 | NPC1 (0.68) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4713361 | 0.86 | NPC1 (0.68) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL11631167 | 0.81 | NPC1 (0.49) | NPC1RAB9AMEN1KMT2ADHFR | |
| SCHEMBL4715307 | 0.81 | MEN1 (0.52) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL4715311 | 0.81 | MEN1 (0.52) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL11631170 | 0.81 | NPC1 (0.49) | NPC1RAB9AMEN1KMT2ADHFR | |
| SCHEMBL27403426 | 0.81 | NPC1 (0.55) | NPC1RAB9AMEN1KMT2ADHFR |
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-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 |