Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11872266 | 0.79 | NOTUM (0.56) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL24817140 | 0.77 | NOTUM (0.52) | DRD2TAAR1ALDH1A1KMT2AMEN1 | |
| SCHEMBL29987139 | 0.77 | NOTUM (0.52) | DRD2TAAR1ALDH1A1KMT2AMEN1 | |
| SCHEMBL4555519 | 0.72 | GABRA1 (0.48) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL11869851 | 0.72 | TMEM97 (0.47) | GABRA1GABRG2GABRB3GABRA3GABRA2 | |
| SCHEMBL11862357 | 0.71 | DRD2 (0.59) | DRD2DRD1DRD4DRD5DRD3 | |
| Hydrochloric Acid SCHEMBL11858233 | 0.70 | DRD2 (0.58) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL741884 | 0.69 | DRD2 (0.48) | DRD2DRD1DRD4DRD5DRD3 | |
| Hydrochloric Acid SCHEMBL11867318 | 0.68 | DRD2 (0.47) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL5385138 | 0.68 | HDAC3 (0.67) | TAAR1ALDH1A1KMT2AMAPK1KDM4E |
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-3950343-A | PYRROLOISOQUINOLINE DERIVATIVES | AYERST, MCKENNA AND HARRISON LTD. (CA) | 1976-04-13 | — | — | US | disclosed |