Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | DRD2 | P14416 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | LIPE | Q05469 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL1690480 | 0.86 | HTR1A (0.61) | HTR1ADRD2GAAMAPTTDP1 | |
| SCHEMBL17124033 | 0.80 | HTR1A (0.53) | HTR1ADRD2GAAMAPTTDP1 | |
| SCHEMBL15299129 | 0.78 | HTR1A (0.54) | HTR1ADRD2GAAMAPTTDP1 | |
| SCHEMBL692555 | 0.77 | HTR1A (0.67) | HTR1ADRD2GAAMAPTTDP1 | |
| SCHEMBL2951310 | 0.77 | IDO1 (0.50) | GAAMAPTLMNAMEN1ALDH1A1 | |
| SCHEMBL1894256 | 0.77 | HTR1A (0.67) | HTR1ADRD2GAAMAPTTDP1 | |
| SCHEMBL31528111 | 0.76 | CCR5 (0.45) | MAPTTDP1L3MBTL1MAPK1LIPE | |
| SCHEMBL10835005 | 0.76 | HTR1A (0.61) | HTR1ADRD2GAAMAPTTDP1 | |
| Bicarbonate SCHEMBL27963003 | 0.76 | HTR1A (0.61) | HTR1ADRD2GAAMAPTTDP1 | |
| SCHEMBL27714342 | 0.75 | HTR1A (0.65) | HTR1ADRD2GAAMAPTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3556435-B1 | CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE | BEIJING SHOWBY PHARMACEUTICAL CO LTD (CN) | 2020-10-28 | — | — | EP | disclosed |
| EP-3556435-A1 | CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE | Beijing Showby Pharmaceutical Co., Ltd. (CN) | 2019-10-23 | — | — | EP | disclosed |