Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL502169 | 0.79 | — | — | |
| Pyrrolidine SCHEMBL3402069 | 0.76 | — | — | |
| Pyrrolidine SCHEMBL1800837 | 0.76 | — | — | |
| Pyrrolidine SCHEMBL28527711 | 0.76 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTKMT2AATM | |
| Isobutyramide SCHEMBL28091944 | 0.75 | ALDH1A1 (0.40) | ALDH1A1KDM4EMAPTKMT2AATM | |
| Piperidine SCHEMBL4603677 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTKMT2AATM | |
| Azepane SCHEMBL9671876 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMAPTKMT2AATM | |
| Piperazine SCHEMBL11438673 | 0.74 | MAPT (0.35) | KDM4EMAPTKMT2AATMCYP2D6 | |
| Piperidine SCHEMBL3283269 | 0.73 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTKMT2AATM | |
| Pyrrolidine SCHEMBL15387295 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTKMT2AATM |
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-2268601-A1 | METHOD FOR PREPARING DIFLUOROACETIC ACID AND SALTS THEREOF | Rhodia Opérations (FR) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009115426-A1 | METHOD FOR PREPARING DIFLUOROACETIC ACID AND SALTS THEREOF | RHODIA OPERATIONS (FR) | 2009-09-24 | — | — | WO | disclosed |