Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TACR3 | P29371 | 8/20 | 0.48 |
| ▸ | TACR2 | P21452 | 4/20 | 0.48 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | KCNK3 | O14649 | 4/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3435595 | 0.89 | KDM4E (0.49) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL16005739 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL4520187 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL4527992 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL3405746 | 0.77 | EGLN1 (0.52) | TACR3PDE2A | |
| SCHEMBL3434892 | 0.76 | TSHR (0.50) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL4527612 | 0.76 | KDM4E (0.45) | ALDH1A1KDM4EHPGDTSHRHSD17B10 | |
| SCHEMBL3435598 | 0.72 | EGLN1 (0.50) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL3410929 | 0.72 | EGLN1 (0.50) | ALDH1A1KDM4ELMNAHPGDTSHR | |
| SCHEMBL14822498 | 0.70 | HPGDS (0.42) | ALDH1A1KDM4ELMNAMAPT |
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-2257539-A1 | SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES | Merck Sharp & Dohme Corp. (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009117269-A1 | SUBSTITUTED 4-HYDROXYPYRIMIDINE-5-CARBOXAMIDES | MERCK & CO., INC. (US) | 2009-09-24 | — | — | WO | disclosed |