Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | KCNN2 | Q9H2S1 | 4/20 | 0.36 |
| ▸ | KCNN3 | Q9UGI6 | 4/20 | 0.36 |
| ▸ | KCNN1 | Q92952 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL18415360 | 0.83 | ACHE (0.39) | MAOAMAOBSLC6A4KCNN2KCNN3 | |
| SCHEMBL18256786 | 0.78 | MAOA (0.54) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL27283990 | 0.73 | KDM4E (0.36) | SLC6A4KDM4EALDH1A1GLAHPGD | |
| SCHEMBL18256785 | 0.73 | SLC6A4 (0.40) | MAOAMAOBSLC6A4CYP2D6CYP3A4 | |
| SCHEMBL22297377 | 0.72 | SLC6A2 (0.50) | SLC6A4 | |
| SCHEMBL18256759 | 0.70 | MAOA (0.77) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL20073096 | 0.69 | SLC6A2 (0.49) | SLC6A4KDM4EALDH1A1GLAHPGD | |
| SCHEMBL12192725 | 0.68 | MAOA (0.49) | MAOAKCNN2KCNN3KCNN1KDM4E | |
| SCHEMBL30666505 | 0.68 | ACHE (0.36) | ACHECYP3A4MAPT | |
| SCHEMBL11466963 | 0.68 | UGT2B17 (0.46) | MAOA |
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-3604304-A1 | PYRROLO-PYRIDINE DERIVATIVE COMPOUND, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF PROTEIN KINASE-RELATED DISEASES | Daegu-Gyeongbuk Medical Innovation Foundation (KR) | 2020-02-05 | — | — | EP | disclosed |