Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2458172 | 0.76 | HCAR2 (0.38) | HCAR2 | |
| SCHEMBL2458834 | 0.75 | PROKR1 (0.38) | HCAR2 | |
| SCHEMBL2458171 | 0.75 | HCAR2 (0.37) | ALDH1A1HCAR2 | |
| SCHEMBL3320304 | 0.75 | HCAR2 (0.42) | ALDH1A1KDM4EKMT2AMEN1HPGD | |
| SCHEMBL2458634 | 0.74 | PDE10A (0.48) | ALDH1A1KDM4EHCAR2 | |
| SCHEMBL14939538 | 0.73 | ALDH1A1 (0.58) | ALDH1A1KDM4EKMT2AMEN1HPGD | |
| SCHEMBL28961390 | 0.72 | CHRNB2 (0.55) | ALDH1A1TDP1CHRNB2CHRNA7CHRNA4 | |
| SCHEMBL2460901 | 0.69 | POLB (0.43) | ALDH1A1KDM4EKMT2AMEN1TSHR | |
| SCHEMBL4014807 | 0.69 | HRH3 (0.40) | ALDH1A1KDM4EKMT2AMEN1HPGD | |
| SCHEMBL13361555 | 0.68 | HCAR2 (0.46) | HCAR2 |
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-2364306-A1 | Pyridine and pyrimidine derivatives as phosphodiesterase 10 inhibitors | Amgen Inc. (US) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010057126-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS | AMGEN INC. (US) | 2010-05-20 | — | — | WO | disclosed |