Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | PRKDC | P78527 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL23357681 | 0.91 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL11835695 | 0.91 | MAPT (0.53) | ALDH1A1MAPTCYP3A4MEN1CYP2C19 | |
| SCHEMBL6819520 | 0.87 | LMNA (0.49) | ALDH1A1MAPTCYP3A4MEN1CYP2C19 | |
| SCHEMBL8438191 | 0.87 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL6371334 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL2087809 | 0.85 | ALDH1A1 (0.63) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL9392806 | 0.84 | ALDH1A1 (0.51) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL11013467 | 0.83 | MAPT (0.55) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL16543579 | 0.83 | MAPT (0.55) | ALDH1A1MAPTCYP3A4KDM4EALOX15 | |
| SCHEMBL10702301 | 0.83 | MAPT (0.51) | ALDH1A1MAPTCYP3A4KDM4EALOX15 |
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-0856001-A1 | PYRIMIDINE DERIVATIVES AS 5HT 2C?-RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 1998-08-05 | — | — | EP | disclosed |
| WO-1997012880-A1 | PYRIMIDINE DERIVATIVES AS 5HT2C-RECEPTOR ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 1997-04-10 | — | — | WO | disclosed |