Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8701999 | 1.00 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2IMPDH2PPARGPPARD | |
| SCHEMBL8698554 | 0.83 | CA12 (0.46) | ALDH1A1SMN1; SMN2PPARGPPARDPPARA | |
| SCHEMBL8698558 | 0.83 | CA12 (0.46) | ALDH1A1SMN1; SMN2PPARGPPARDPPARA | |
| SCHEMBL8702040 | 0.78 | PTPN1 (0.40) | ALDH1A1SMN1; SMN2IMPDH2PPARGPPARD | |
| SCHEMBL8702629 | 0.78 | PTPN1 (0.40) | ALDH1A1SMN1; SMN2IMPDH2PPARGPPARD | |
| SCHEMBL8699145 | 0.76 | GLA (0.42) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL8699152 | 0.76 | GLA (0.42) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1 | |
| SCHEMBL8699353 | 0.74 | ERN1 (0.47) | ALDH1A1SMN1; SMN2IMPDH2ERN1KDM4E | |
| SCHEMBL12553293 | 0.73 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2ERN1KDM4ECYP3A4 | |
| SCHEMBL28343644 | 0.72 | ALDH1A1 (0.59) | ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008837-A1 | PHENYLBUTANOL DERIVATIVES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF | FARMACON, INC. (US) | 1998-03-05 | — | — | WO | disclosed |