Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | KCNB1 | Q14721 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | KCNB2 | Q92953 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 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 | |
|---|---|---|---|---|
| SCHEMBL6681980 | 0.86 | ALDH1A1 (0.35) | HTTSMN1; SMN2NR1H4KCNB1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7241201 | 0.85 | ALDH1A1 (0.34) | HTTSMN1; SMN2KCNB1ALDH1A1KCNB2 | |
| SCHEMBL6676319 | 0.81 | NR1H4 (0.35) | HTTNR1H4KCNB1ALDH1A1KCNB2 | |
| SCHEMBL6674709 | 0.81 | CACNA1C (0.39) | HTTHPGDGABRPGABRDGABRA1 | |
| SCHEMBL6675976 | 0.81 | NR1H4 (0.37) | NR1H4KCNB1ALDH1A1LMNA | |
| SCHEMBL6676116 | 0.81 | KCNK3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL7236369 | 0.80 | NR1H4 (0.34) | NR1H4KCNB1KCNB2LMNA | |
| Hydrochloric Acid SCHEMBL6674491 | 0.80 | NR1H4 (0.36) | NR1H4KCNB1ALDH1A1LMNA | |
| SCHEMBL6674904 | 0.79 | AOC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL6680940 | 0.78 | AOC1 (0.34) | — |
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-0798292-B1 | ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY | CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) | 2004-11-03 | — | — | EP | claimed |