Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MPO | P05164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CACNA1G | O43497 | 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 | |
|---|---|---|---|---|
| SCHEMBL12481069 | 0.79 | MAPK1 (0.53) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL9706892 | 0.79 | NOTUM (0.39) | ALDH1A1MEN1LMNAKMT2AGABRA1 | |
| SCHEMBL110394 | 0.77 | NPC1 (0.51) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL20695961 | 0.77 | MAPK1 (0.51) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL21516008 | 0.77 | MAPK1 (0.51) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL18584960 | 0.77 | NPC1 (0.56) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL4341886 | 0.75 | MAPK1 (0.67) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL20773519 | 0.75 | NPC1 (0.49) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL30288591 | 0.75 | NPC1 (0.49) | MAPK1NPC1MPOALDH1A1KDM4E | |
| SCHEMBL30332519 | 0.75 | NPC1 (0.49) | MAPK1NPC1MPOALDH1A1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772598-B1 | PREPARATION OF HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS | MONSANTO TECHNOLOGY LLC (US) | 2002-02-06 | — | — | EP | disclosed |
| EP-0772598-A1 | HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF | MONSANTO COMPANY (US) | 1997-05-14 | — | — | EP | disclosed |
| US-5587485-A | CATALYTIC OXIDATION OF THE CORRESPONDING ALKYL SUBSTITUTED BENZENE COMPOUND | MONSANTO COMPANY (US) | 1996-12-24 | — | — | US | disclosed |
| WO-1996002515-A1 | HETEROCYCLIC- AND CARBOCYCLIC-SUBSTITUTED BENZOIC ACIDS AND SYNTHESIS THEREOF | MONSANTO COMPANY (US) | 1996-02-01 | — | — | WO | disclosed |