Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.32 |
| ▸ | CTSK | P43235 | 3/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16981999 | 0.85 | CYP2D6 (0.36) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL18772916 | 0.82 | CYP2D6 (0.34) | CYP2D6SIGMAR1CASRCA1CA2 | |
| SCHEMBL18510032 | 0.80 | DGAT1 (0.34) | CYP2D6SIGMAR1CA1CA2CA7 | |
| SCHEMBL4333840 | 0.80 | CYP2D6 (0.38) | CYP2D6CA1CA2CA7HDAC3 | |
| SCHEMBL13145857 | 0.79 | CA12 (0.42) | CYP2D6SIGMAR1CTSKCA1CA2 | |
| SCHEMBL20674802 | 0.79 | CA12 (0.39) | CYP2D6SIGMAR1CA1CA2CA7 | |
| SCHEMBL4335542 | 0.79 | TDP1 (0.34) | CYP2D6SIGMAR1CA1CA7MEN1 | |
| SCHEMBL5972844 | 0.78 | CYP2D6 (0.32) | CYP2D6ALDH1A1 | |
| SCHEMBL16558063 | 0.78 | CA12 (0.36) | CYP2D6ALDH1A1CTSKCA1CA2 | |
| SCHEMBL10170325 | 0.78 | SIGMAR1 (0.33) | SIGMAR1CA1CA7MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2534132-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2017-04-26 | — | — | EP | disclosed |