Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20628054 | 0.84 | KDM4E (0.34) | HRH3ALDH1A1 | |
| SCHEMBL792164 | 0.82 | SLC6A3 (0.53) | SLC6A3SLC6A4SLC6A2SIGMAR1CYP1A2 | |
| SCHEMBL18772845 | 0.80 | CHRM5 (0.39) | SLC29A1HRH3CYP1A2 | |
| SCHEMBL20333203 | 0.80 | SIGMAR1 (0.51) | SLC6A3SLC6A4SLC6A2SIGMAR1CYP1A2 | |
| SCHEMBL10058642 | 0.80 | HRH3 (0.48) | HRH3ALDH1A1SIGMAR1 | |
| SCHEMBL12438 | 0.78 | HRH3 (0.48) | HRH3ALDH1A1TDP1CYP1A2 | |
| SCHEMBL5001162 | 0.78 | HRH3 (0.48) | HRH3ALDH1A1TDP1CYP1A2 | |
| SCHEMBL13174 | 0.78 | HRH3 (0.48) | HRH3ALDH1A1TDP1CYP1A2 | |
| SCHEMBL19909612 | 0.78 | HRH3 (0.48) | HRH3ALDH1A1TDP1CYP1A2 | |
| SCHEMBL12992 | 0.78 | KDM4E (0.45) | HRH3ALDH1A1 |
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-2499146-B1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO SA (CH) | 2016-09-21 | — | — | EP | disclosed |
| WO-2011058149-A1 | TRICYCLIC PYRAZOL AMINE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-05-19 | — | — | WO | disclosed |