Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | ESPL1 | Q14674 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTR1E | P28566 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9102109 | 0.83 | TP53 (0.47) | ACHECES1CES2MAPTALDH1A1 | |
| SCHEMBL3394019 | 0.73 | CCR2 (0.43) | SRD5A2 | |
| SCHEMBL4883866 | 0.71 | TP53 (0.43) | TDP1ACHECES1CES2MAPT | |
| SCHEMBL3392997 | 0.71 | TDP1 (0.40) | TDP1SRD5A2ACHEHSD17B10MAPK1 | |
| SCHEMBL4756165 | 0.70 | TP53 (0.43) | TDP1ACHEMAPK1CES1CES2 | |
| Acetic Acid SCHEMBL27877969 | 0.67 | MAPK1 (0.71) | TDP1SRD5A2ACHEHSD17B10MAPK1 | |
| Hydrogen Peroxide SCHEMBL28789390 | 0.66 | ALDH1A1 (0.72) | TDP1SRD5A2ACHEHSD17B10MAPK1 | |
| 4-Nitrotoluene SCHEMBL30483931 | 0.66 | ACHE (0.82) | TDP1SRD5A2ACHEHSD17B10MAPK1 | |
| 4-Nitrotoluene SCHEMBL9037550 | 0.66 | ACHE (0.82) | TDP1SRD5A2ACHEHSD17B10MAPK1 | |
| SCHEMBL4758043 | 0.66 | CRHBP (0.40) | TDP1MAPK1MAPTALDH1A1KDM4E |
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-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | claimed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | disclosed |