Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30015375 | 1.00 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ACNR2CES2 | |
| SCHEMBL28579723 | 0.86 | DPP4 (0.40) | ALDH1A1CES2CES1KDM4E | |
| SCHEMBL1358784 | 0.80 | DPP4 (0.54) | ALDH1A1KDM4ECASP1 | |
| SCHEMBL11210134 | 0.79 | MEN1 (0.50) | ALDH1A1RAB9ACNR2VCAM1ATM | |
| SCHEMBL29181700 | 0.79 | DPP4 (0.52) | ALDH1A1KDM4ECASP1 | |
| Potassium SCHEMBL30811378 | 0.79 | DPP4 (0.52) | ALDH1A1KDM4ECASP1 | |
| SCHEMBL6532690 | 0.78 | NR4A1 (0.49) | ALDH1A1NPC1RAB9ACES2CES1 | |
| SCHEMBL7581152 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CES2CES1VCAM1ATM | |
| SCHEMBL6747845 | 0.78 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ACNR2CES2 | |
| SCHEMBL11504587 | 0.76 | NPC1 (0.47) | ALDH1A1NPC1RAB9ACNR2CES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110372538-B | Synthesis method of 2, 6-dichloro-3-fluorobenzonitrile | 浙江吉泰新材料股份有限公司 | 2022-10-21 | — | — | CN | claimed |
| EP-0600318-B1 | Asymmetric, halogenated benzophenones and process for their preparation | CLARIANT GMBH (DE) | 1998-04-08 | — | — | EP | disclosed |
| EP-0600318-A1 | Asymmetric, halogenated benzophenones and process for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1994-06-08 | — | — | EP | disclosed |