Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.56 |
| ▸ | F7 | P08709 | 3/20 | 0.56 |
| ▸ | F3 | P13726 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.56 |
| ▸ | PPARG | P37231 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | PPARD | Q03181 | 2/20 | 0.56 |
| ▸ | PPARA | Q07869 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28517631 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP19A1F7F3MAPT | |
| SCHEMBL8072218 | 0.94 | EPHX2 (0.60) | ALDH1A1CYP19A1F7F3MAPT | |
| SCHEMBL8072057 | 0.94 | EPHX2 (0.60) | ALDH1A1CYP19A1F7F3MAPT | |
| SCHEMBL2637146 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 | |
| SCHEMBL8985933 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 | |
| SCHEMBL3458829 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 | |
| SCHEMBL8985935 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 | |
| SCHEMBL1259282 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 | |
| SCHEMBL2637148 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 | |
| SCHEMBL1533680 | 0.89 | EPHX2 (0.69) | ALDH1A1CYP19A1F7F3OXER1 |
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-2009118712-A2 | NOVEL DIHYDROXYPYRROLIDINE DERIVATIVES AS ANTI-CANCER AGENTS | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2009-10-01 | — | — | WO | disclosed |