Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | PRKACG | P22612 | 1/20 | 0.40 |
| ▸ | PRKACB | P22694 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.40 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5118709 | 0.83 | DRD2 (0.47) | DRD2DRD3 | |
| SCHEMBL2295355 | 0.83 | DRD2 (0.47) | DRD2DRD3 | |
| SCHEMBL2295207 | 0.83 | DRD2 (0.47) | DRD2DRD3 | |
| SCHEMBL27934517 | 0.82 | PRKACA (0.46) | DRD2DRD3PRKACAPRKACGPRKACB | |
| Formic Acid SCHEMBL28265868 | 0.77 | DRD2 (0.45) | DRD2DRD3 | |
| SCHEMBL5058415 | 0.76 | DRD2 (0.59) | DRD2DRD3PRKACAPRKACGPRKACB | |
| SCHEMBL1336667 | 0.71 | CHRNB4 (0.45) | — | |
| SCHEMBL27083132 | 0.71 | PRKACA (0.47) | DRD2DRD3PRKACAPRKACGPRKACB | |
| SCHEMBL28809746 | 0.70 | DRD2 (0.50) | DRD2DRD3 | |
| SCHEMBL4434976 | 0.69 | DRD2 (0.39) | DRD2DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103450204-B | Pyrroles [2,1-f] [1,2,4] triazin compound, Preparation Method And The Use | 中国科学院上海药物研究所 | 2016-08-17 | — | — | CN | disclosed |
| CN-103450204-A | Pyrrole [2,1-f][1,2,4] triazine compound, and preparation method and purpose thereof | SHANGHAI INST MATERIA MEDICA | 2013-12-18 | — | — | CN | disclosed |