Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.55 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.55 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.55 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.55 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.55 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL7541202 | 0.87 | CYP1A2 (0.53) | CYP1A2HSD17B10GABRA1GABRB2GABRG2 | |
| SCHEMBL10840510 | 0.83 | CYP1A2 (0.59) | CYP1A2HSD17B10GABRA1GABRB2GABRG2 | |
| SCHEMBL15238959 | 0.83 | CYP1A2 (0.59) | CYP1A2HSD17B10GABRA1GABRB2GABRG2 | |
| SCHEMBL27738406 | 0.82 | CYP1A2 (0.63) | CYP1A2HSD17B10GABRA1GABRB2GABRG2 | |
| SCHEMBL22164179 | 0.82 | HSD17B10 (0.67) | CYP1A2HSD17B10GABRA1GABRB2TRPM8 | |
| SCHEMBL28908027 | 0.82 | HSD17B10 (0.67) | CYP1A2HSD17B10GABRA1GABRB2TRPM8 | |
| Hydrochloric Acid SCHEMBL28641311 | 0.81 | HSD17B10 (0.65) | CYP1A2HSD17B10GABRA1GABRB2TRPM8 | |
| SCHEMBL10333351 | 0.80 | HSD17B10 (0.63) | CYP1A2HSD17B10GABRA1GABRB2CYP3A4 | |
| SCHEMBL10333352 | 0.80 | HSD17B10 (0.63) | CYP1A2HSD17B10GABRA1GABRB2CYP3A4 | |
| SCHEMBL28962300 | 0.79 | CYP1A2 (0.59) | CYP1A2HSD17B10GABRA1GABRB2GABRG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109952301-B | 5-HT2C receptor agonists and compositions and methods of use | 艾尼纳制药公司 | 2022-03-25 | — | — | CN | disclosed |
| CN-108137508-B | 5-HT2CReceptor agonists and compositions and methods of use | 艾尼纳制药公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-107873030-B | 5-HT2CReceptor agonists and compositions and methods of use | 艾尼纳制药公司 | 2021-03-19 | — | — | CN | disclosed |