Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL8938866 | 0.68 | GAA (0.43) | CYP3A4ALDH1A1 | |
| SCHEMBL8938835 | 0.65 | CYP3A4 (0.58) | CYP3A4ABCB1MAPTKDM4EALDH1A1 | |
| SCHEMBL7037948 | 0.64 | PDGFRB (0.45) | CYP3A4MAPTKDM4E | |
| SCHEMBL8938839 | 0.62 | PTGS2 (0.36) | CYP3A4MAOBHSD17B10 | |
| SCHEMBL4742533 | 0.61 | CA12 (0.42) | CYP3A4MAOAMAOB | |
| SCHEMBL20274548 | 0.60 | ALDH1A1 (0.44) | CYP3A4MAPTSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL19607444 | 0.59 | ACHE (0.42) | MAOBSMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL13495196 | 0.59 | MEN1 (0.42) | CYP3A4ABCB1MAOAMAPTSMN1; SMN2 | |
| SCHEMBL13495212 | 0.59 | MEN1 (0.42) | CYP3A4ABCB1MAOAMAPTSMN1; SMN2 | |
| SCHEMBL16366008 | 0.58 | ALDH1A1 (0.37) | MAPTKDM4EALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5543298-A | ADDING SPECIFIED COMPOUND TO LIQUID SAMPLE, MEASURING RATE OF AUTOOXIDATION SPECTROPHOTOMETRICALLY | OXIS INTERNATIONAL S.A. (FR) | 1996-08-06 | — | — | US | disclosed |