Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPEPPS | P55786 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 0.34 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | CCR8 | P51685 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | METAP1 | P53582 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.34 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23053142 | 0.79 | ALDH1A1 (0.40) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL16291997 | 0.74 | NPEPPS (0.38) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| Iodide SCHEMBL28890119 | 0.72 | PKM (0.40) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL12915391 | 0.69 | KDM4E (0.46) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL4639335 | 0.68 | GPR119 (0.43) | ALDH1A1NPEPPSKDM4EPOLBRIPK1 | |
| SCHEMBL23280559 | 0.67 | KDM4E (0.44) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL28876311 | 0.64 | KDM4E (0.50) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL20734364 | 0.63 | POLB (0.44) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL19458866 | 0.62 | ALDH1A1 (0.36) | ALDH1A1MAPTNPC1RAB9AKMT2A | |
| SCHEMBL7591219 | 0.62 | CHRNB2 (0.40) | ALDH1A1MAPTNPC1RAB9AKMT2A |
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-1138657-A1 | Process for generating electrophiles from anions by reaction with electrophilic fluorinating agent | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-10-04 | — | — | EP | disclosed |
| US-6270843-B1 | REACTING A SALT COMPRISING ANIONIC FORM OF SUBSTITUENT WITH AN ELECTROPHILIC FLUORINATION AGENT TO PROVIDE AN ELECTROPHILE COMPRISING CATIONIC FORM OF SUBSTITUENT; ELECTROPHILICALLY SUBSTITUTING ELECTROPHILE ON SUBSTRATE | AIR PRODUCTS AND CHEMICALS, INC. | 2001-08-07 | — | — | US | disclosed |