Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SCN1A | P35498 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12853690 | 0.85 | HRH3 (0.65) | HRH3ALDH1A1KDM4ESLC6A4CYP1A2 | |
| SCHEMBL5100562 | 0.80 | HRH3 (0.79) | HRH3 | |
| Hydrochloric Acid SCHEMBL28433084 | 0.80 | KDM4E (0.62) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| Hydrochloric Acid SCHEMBL31070047 | 0.80 | KDM4E (0.62) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| SCHEMBL13559930 | 0.79 | ABHD6 (0.69) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| SCHEMBL585363 | 0.78 | ALDH1A1 (0.60) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| SCHEMBL329891 | 0.78 | HRH3 (0.63) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| SCHEMBL29640958 | 0.78 | HRH3 (0.63) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| SCHEMBL14959564 | 0.78 | ABHD6 (0.71) | HRH3ALDH1A1KDM4ENPC1ABHD6 | |
| SCHEMBL5503627 | 0.78 | HRH3 (0.54) | HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009118765-A2 | NOVEL MONOAMINE RE-UPTAKE INHIBITOR | PANACEA BIOTEC LIMITED (GB) | 2009-10-01 | — | — | WO | disclosed |