Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14960376 | 0.91 | ALDH1A1 (0.53) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL14412294 | 0.77 | HDAC3 (0.45) | ALDH1A1MAPTHDAC6HDAC3HDAC4 | |
| SCHEMBL1574357 | 0.76 | ALDH1A1 (0.74) | ALDH1A1GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL9966087 | 0.76 | KMT2A (0.46) | ALDH1A1L3MBTL1GAALMNATSHR | |
| SCHEMBL14412375 | 0.73 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1GAAKDM4EMAPT | |
| SCHEMBL14412177 | 0.72 | NPC1 (0.50) | ALDH1A1KDM4EMAPTHDAC6HDAC3 | |
| SCHEMBL14412199 | 0.72 | ALDH1A1 (0.51) | ALDH1A1GAATSHRKDM4EGLA | |
| SCHEMBL5212779 | 0.71 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1GAAKDM4EGLA | |
| SCHEMBL14412418 | 0.71 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1GAATSHRMAPT | |
| SCHEMBL14412372 | 0.70 | ALDH1A1 (0.42) | ALDH1A1KDM4EHDAC6HDAC3HDAC4 |
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-1989185-B1 | THERAPEUTIC COMPOUNDS | HELICON THERAPEUTICS INC (US) | 2013-05-22 | — | — | EP | disclosed |