Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.40 |
| ▸ | CA2 | P00918 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4379847 | 0.93 | HTR2A (0.42) | ALDH1A1HRH3CA12CA1CA2 | |
| SCHEMBL4383470 | 0.85 | LMNA (0.45) | ALDH1A1CA12CA1CA2CA9 | |
| Oxalic Acid SCHEMBL7991431 | 0.80 | SMN1; SMN2 (0.45) | ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL4380966 | 0.80 | NQO1 (0.45) | ALDH1A1HRH3TSHRKCNH2LMNA | |
| SCHEMBL7961327 | 0.80 | RAB9A (0.43) | ALDH1A1HRH3KCNH2LMNA | |
| SCHEMBL7987297 | 0.80 | HRH3 (0.54) | ALDH1A1HRH3KCNH2LMNAMAPK1 | |
| SCHEMBL4384169 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CA9KCNH2LMNAL3MBTL1 | |
| SCHEMBL4376189 | 0.78 | KCNH2 (0.37) | ALDH1A1HRH3KCNH2LMNA | |
| SCHEMBL4386689 | 0.78 | LMNA (0.45) | ALDH1A1HRH3TSHRKCNH2LMNA | |
| SCHEMBL4376133 | 0.78 | HRH3 (0.46) | HRH3KCNH2 |
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-0760811-A1 | IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) | 1997-03-12 | — | — | EP | claimed |
| EP-0594702-B1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | UPJOHN CO (US) | 1997-01-29 | — | — | EP | claimed |
| WO-1996029315-A2 | IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS | INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) | 1996-09-26 | — | — | WO | claimed |