Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10168099 | 0.86 | PDE10A (0.42) | ALDH1A1KDM4EMAPTPKMKMT2A | |
| SCHEMBL13637042 | 0.85 | IRAK4 (0.50) | IRAK4ALDH1A1KDM4EDHODHMAPT | |
| SCHEMBL8830111 | 0.72 | KDM4E (0.49) | ALDH1A1KDM4EMAPTPKMKMT2A | |
| SCHEMBL724249 | 0.72 | PDE3B (0.55) | ALDH1A1KDM4EMAPTPKMKMT2A | |
| SCHEMBL8830107 | 0.71 | ALDH1A1 (0.44) | ALDH1A1KDM4EMAPTPKMKMT2A | |
| SCHEMBL5318358 | 0.71 | ALDH1A1 (0.63) | ALDH1A1KDM4EMAPTPKMKMT2A | |
| SCHEMBL14845272 | 0.71 | ALDH1A1 (0.44) | IRAK4ALDH1A1KDM4EMAPTPKM | |
| SCHEMBL974081 | 0.71 | NPC1 (0.47) | ALDH1A1KDM4EMAPTPKMKMT2A | |
| SCHEMBL259475 | 0.70 | PDE10A (0.53) | PDE10A | |
| SCHEMBL26299063 | 0.70 | IRAK4 (0.39) | IRAK4ALDH1A1DHODHKMT2ATSHR |
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-2785183-A1 | TRIAZOLOPYRIDINONE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-10-08 | — | — | EP | disclosed |
| WO-2013074390-A1 | TRIAZOLOPYRIDINONE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |
| WO-2012007006-A1 | TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR | H. LUNDBECK A/S (DK) | 2012-01-19 | — | — | WO | disclosed |