Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 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 | |
|---|---|---|---|---|
| SCHEMBL5569807 | 0.81 | ALDH1A1 (0.71) | ALDH1A1ACHEGAAPGRPTGS1 | |
| Fenobucarb SCHEMBL6446466 | 0.79 | ALDH1A1 (0.47) | ALDH1A1ACHEGAAPGRPTGS1 | |
| Propoxur SCHEMBL9371261 | 0.71 | ALDH1A1 (0.72) | ALDH1A1ACHEGAAPGRPTGS1 | |
| SCHEMBL77829 | 0.70 | ALDH1A1 (0.56) | ALDH1A1ACHEGAAPGRPTGS1 | |
| SCHEMBL11852286 | 0.69 | ALDH1A1 (0.64) | ALDH1A1ACHEGAAPGRPTGS1 | |
| Bromide SCHEMBL6851419 | 0.69 | ALDH1A1 (0.54) | ALDH1A1ACHEGAAPGRPTGS1 | |
| SCHEMBL11848573 | 0.69 | ALDH1A1 (0.68) | ALDH1A1ACHEGAAPGRPTGS1 | |
| SCHEMBL11509640 | 0.69 | ALDH1A1 (0.68) | ALDH1A1ACHEGAAPGRPTGS1 | |
| SCHEMBL6023331 | 0.68 | ALDH1A1 (0.49) | ALDH1A1ACHEGAAPGRPTGS1 | |
| SCHEMBL11855036 | 0.68 | ALDH1A1 (0.62) | ALDH1A1ACHEGAAPGRPTGS1 |
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-1651034-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2006-05-03 | — | — | EP | claimed |
| WO-2005013687-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2005-02-17 | — | — | WO | claimed |