Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL7101441 | 1.00 | EPHX1 (0.38) | EPHX1NPC1SMN1; SMN2HTTGAA | |
| SCHEMBL11070169 | 0.81 | HTT (0.42) | EPHX1NPC1SMN1; SMN2HTTGAA | |
| Hydrochloric Acid SCHEMBL27548538 | 0.79 | HTT (0.41) | EPHX1NPC1SMN1; SMN2HTTGAA | |
| SCHEMBL10974268 | 0.71 | — | — | |
| SCHEMBL10974266 | 0.71 | — | — | |
| Cyclohexane SCHEMBL29291092 | 0.68 | NPC1 (0.32) | EPHX1NPC1SMN1; SMN2HTTGAA | |
| SCHEMBL8076227 | 0.67 | CA1 (0.32) | CA1CA2 | |
| SCHEMBL2773414 | 0.67 | NPC1 (0.36) | EPHX1NPC1SMN1; SMN2HTTGAA | |
| SCHEMBL6959547 | 0.67 | EPHX1 (0.38) | EPHX1NPC1SMN1; SMN2HTTGAA | |
| SCHEMBL2773413 | 0.67 | NPC1 (0.36) | EPHX1NPC1SMN1; SMN2HTTGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6392058-B1 | REACTING AN ALKYL VINYL ETHER WITH PHOSGENE; FORMING ACYL CHLORIDE; ESTERIFICATION; REACTING WITH HYDRAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |
| US-6329530-B1 | REACTING ALKYL VINYL ETHER WITH PHOSGENE OR PHOSGENE DERIVATIVE TO FORM ACYL CHLORIDE DERIVATIVE; DEHYDROCHLORIANTING TO FORM 3-ALKOXYACRYLOYL CHLORIDE COMPOUND; REACTING WITH ALKYLHYDRAZINE | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-11 | — | — | US | disclosed |
| US-5543568-A | Preparation of α,β-unsaturated β-oxycarboxylic acid chlorides | BASF AKTIENGESELLSCHAFT (DE) | 1996-08-06 | — | — | US | disclosed |