Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21094399 | 0.88 | KCNH2 (0.38) | CYP2C19ALDH1A1TDP1KCNH2SCN3A | |
| SCHEMBL21094390 | 0.84 | ALDH1A1 (0.38) | CYP2C19ALDH1A1TDP1KCNH2SCN3A | |
| SCHEMBL21094100 | 0.83 | SSTR4 (0.39) | CYP2C19MEN1KMT2AALDH1A1TDP1 | |
| SCHEMBL21094396 | 0.82 | RIPK1 (0.39) | CYP2C19ALDH1A1ACHETDP1KCNH2 | |
| SCHEMBL21094387 | 0.82 | MEN1 (0.44) | CYP2C19MEN1CYP2C9KMT2AALDH1A1 | |
| SCHEMBL21094391 | 0.80 | KCNH2 (0.42) | CYP2C19ALDH1A1TDP1KCNH2SCN3A | |
| SCHEMBL21094403 | 0.77 | ALDH1A1 (0.45) | CYP2C19ALDH1A1ACHETDP1KCNH2 | |
| SCHEMBL21094385 | 0.73 | PKM (0.47) | MEN1KMT2AALDH1A1KCNH2PKM | |
| SCHEMBL21093660 | 0.72 | SLC6A3 (0.40) | ALDH1A1RIPK1 | |
| SCHEMBL22451655 | 0.70 | RIPK1 (0.41) | CYP2C19KIF11TDP1KCNH2SCN3A |
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-2019112024-A1 | PYRROLIDINE COMPOUND | キッセイ薬品工業株式会社 | 2019-06-13 | — | — | WO | disclosed |