Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.53 |
| ▸ | GABRD | O14764 | 1/20 | 0.53 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.53 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.53 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.53 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.53 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.53 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.53 |
| ▸ | GABRE | P78334 | 1/20 | 0.53 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.53 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.53 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.53 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.53 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29280872 | 0.98 | GABRP (0.51) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL24844542 | 0.82 | GABRP (0.51) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29280916 | 0.81 | ALDH1A1 (0.58) | ALDH1A1TSHRTDP1LMNA | |
| SCHEMBL12303329 | 0.81 | GABRP (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL26603099 | 0.80 | ALDH1A1 (0.40) | ALDH1A1TSHRPOLBHPGDLMNA | |
| SCHEMBL27940305 | 0.79 | HCAR2 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL29108372 | 0.79 | GABRP (0.59) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL22242097 | 0.78 | CYP4F2 (0.43) | ALDH1A1PTGS1 | |
| SCHEMBL14671128 | 0.77 | GABRP (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL27544709 | 0.77 | GABRP (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117820199-A | Amide compound and application thereof in preparation of Sigma2 and 5HT2A inhibitors | 瀚远医药有限公司 | 2024-04-05 | — | — | CN | disclosed |