Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 13/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7700479 | 0.93 | LTA4H (0.44) | ALDH1A1RECQLLTA4HMAOBL3MBTL1 | |
| SCHEMBL10878403 | 0.80 | ALDH1A1 (0.69) | ALDH1A1RECQLLTA4HGAAL3MBTL1 | |
| SCHEMBL14356072 | 0.80 | ALDH1A1 (0.69) | ALDH1A1RECQLLTA4HGAAL3MBTL1 | |
| SCHEMBL23697045 | 0.76 | ALDH1A1 (0.53) | ALDH1A1RECQLLTA4HGAAL3MBTL1 | |
| SCHEMBL7693438 | 0.74 | HTR2A (0.55) | ALDH1A1GAAMAOBL3MBTL1 | |
| SCHEMBL8408714 | 0.73 | ALDH1A1 (0.69) | ALDH1A1RECQLLTA4HGAAEPHX2 | |
| SCHEMBL7694464 | 0.73 | MAOB (0.40) | ALDH1A1MAOBL3MBTL1 | |
| SCHEMBL347332 | 0.73 | ALDH1A1 (0.60) | ALDH1A1RECQLLTA4HGAAL3MBTL1 | |
| SCHEMBL21746633 | 0.72 | NR1I2 (0.44) | ALDH1A1RECQLGAAL3MBTL1CYP1A2 | |
| SCHEMBL7755737 | 0.71 | LTA4H (0.59) | ALDH1A1RECQLLTA4HL3MBTL1CYP1A2 |
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-2002066415-A2 | NON-STEROIDAL MODULATORS OF ESTROGEN RECEPTORS | THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) | 2002-08-29 | — | — | WO | disclosed |