Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MITF | O75030 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 5/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL9822593 | 0.86 | VCAM1 (0.51) | VCAM1MAPK1POLBMAPTCES2 | |
| Toluene SCHEMBL28103286 | 0.82 | VCAM1 (0.46) | VCAM1POLBNPC1HTTSMN1; SMN2 | |
| SCHEMBL27806438 | 0.78 | CES2 (0.40) | MAPTCES2CES1HPGDCNR2 | |
| SCHEMBL11321781 | 0.77 | AKR1C3 (0.47) | VCAM1NPSR1MAPK1POLBMAPT | |
| SCHEMBL11320176 | 0.76 | NR4A1 (0.50) | VCAM1NPSR1MAPK1POLBKDM4E | |
| SCHEMBL10902716 | 0.76 | VCAM1 (0.56) | VCAM1NPSR1MAPK1POLBKDM4E | |
| Benzophenone SCHEMBL28171686 | 0.76 | ALDH1A1 (0.54) | MAPK1TDP1CES2CES1NPC1 | |
| SCHEMBL11002006 | 0.76 | LMNA (0.47) | VCAM1MAPK1TDP1CES2CES1 | |
| SCHEMBL27907988 | 0.75 | AKR1C3 (0.43) | MAPK1POLBMAPTHPGDL3MBTL1 | |
| SCHEMBL11329074 | 0.75 | MAPK1 (0.51) | NPSR1MAPK1POLBKDM4EMAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110068616-A | The normal-phase chromatography analysis method of chloro- 2 nitrophenyl isocyanate of 4- and its reaction solution | 联化科技股份有限公司 | 2019-07-30 | — | — | CN | disclosed |