Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 12/20 | 0.55 |
| ▸ | NPC1 | O15118 | 11/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.54 |
| ▸ | RELA | Q04206 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.50 |
| ▸ | PDE8B | O95263 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7551994 | 0.93 | RAB9A (0.49) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7510832 | 0.90 | ALDH1A1 (0.49) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7505996 | 0.86 | KDM4E (0.46) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7506673 | 0.84 | DRD2 (0.46) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL17237851 | 0.83 | RAB9A (0.55) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7508321 | 0.82 | HRH3 (0.48) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL7507239 | 0.82 | DRD2 (0.52) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15766578 | 0.81 | PDE10A (0.51) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15767328 | 0.80 | PDE10A (0.77) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL21695773 | 0.78 | ALDH1A1 (0.47) | RAB9ANPC1ALDH1A1KDM4ESMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2919783-B1 | CYCLOPROPYL IMIDAZOPYRIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2018-01-31 | — | — | EP | disclosed |