Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GPR3 | P46089 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6001561 | 0.82 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL29529441 | 0.78 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL547450 | 0.78 | PTPN1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL6013736 | 0.75 | HSD17B10 (0.33) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27560293 | 0.74 | ALDH1A1 (0.31) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL27727303 | 0.72 | RAB9A (0.31) | — | |
| SCHEMBL10944396 | 0.71 | HSD17B10 (0.37) | ALDH1A1HSD17B10TDP1KDM4ECYP1A2 | |
| SCHEMBL27727299 | 0.71 | CYP1A2 (0.31) | CYP2A6TSHRCYP1A2 | |
| SCHEMBL28018199 | 0.68 | ALDH1A1 (0.33) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 | |
| SCHEMBL1605255 | 0.65 | ALDH1A1 (0.39) | ALDH1A1HSD17B10CYP2A6TSHRTDP1 |
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-108743593-B | A kind of antidepressant and its oral granular formulation and pharmaceutical applications | 程世宏 | 2019-03-26 | — | — | CN | disclosed |
| CN-108743593-A | A kind of antidepressant and its oral granular formulation and pharmaceutical applications | 程世宏 | 2018-11-06 | — | — | CN | disclosed |