Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRMT3 | O60678 | 4/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.34 |
| ▸ | MELK | Q14680 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5952233 | 0.79 | CA1 (0.55) | — | |
| SCHEMBL1519997 | 0.77 | CA1 (0.55) | ROCK2ROCK1IMPDH2CYP19A1CYP3A4 | |
| SCHEMBL29956276 | 0.77 | CA1 (0.55) | ROCK2ROCK1IMPDH2CYP19A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1519681 | 0.75 | CA1 (0.53) | ROCK2ROCK1IMPDH2CYP19A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL29954115 | 0.75 | CA1 (0.53) | ROCK2ROCK1IMPDH2CYP19A1CYP3A4 | |
| SCHEMBL18855242 | 0.75 | KMT2A (0.37) | CYP19A1CYP3A4 | |
| SCHEMBL3515822 | 0.72 | CHRNB2 (0.38) | CYP19A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL13302286 | 0.70 | CYP11B1 (0.62) | NOTUMCYP19A1CYP11B1CYP11B2MELK | |
| SCHEMBL622466 | 0.70 | CA1 (0.55) | ROCK2ROCK1CYP19A1MELK | |
| SCHEMBL29450614 | 0.70 | CA1 (0.55) | ROCK2ROCK1CYP19A1MELK |
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 |
|---|---|---|---|---|---|---|---|
| US-9809552-B2 | Piperazine derivatives as FASN inhibitors | MERCK PATENT GMBH (DE) | 2017-11-07 | — | — | US | disclosed |