Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.53 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.53 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.53 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.53 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.53 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.53 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MTOR | P42345 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | VCP | P55072 | 1/20 | 0.51 |
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28837107 | 0.83 | CYP3A4 (0.67) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL19472000 | 0.82 | CYP19A1 (0.78) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL8580709 | 0.82 | ALDH1A1 (0.69) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL19500874 | 0.82 | CYP19A1 (0.78) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL6582867 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL29399800 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| Piperonal SCHEMBL29411164 | 0.78 | ALDH1A1 (1.00) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5814908 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL5911216 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM | |
| SCHEMBL81382 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TDP1HSD17B10CYP3A4ATM |
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-104761531-B | Analgesic active compound and medical application thereof | 中国人民解放军军事医学科学院毒物药物研究所 | 2017-12-01 | — | — | CN | disclosed |
| CN-104761531-A | Analgesic active compound and medical application thereof | INST PHARM & TOXICOLOGY AMMS | 2015-07-08 | — | — | CN | disclosed |