Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL474051 | 0.94 | ALDH1A1 (0.39) | ALDH1A1HPGDPOLBTP53TDP1 | |
| SCHEMBL474633 | 0.86 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2AKR1C3AKR1C2 | |
| SCHEMBL473917 | 0.85 | ALDH1A1 (0.36) | ALDH1A1HPGDPOLBTDP1KMT2A | |
| SCHEMBL473967 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDPOLBTP53TDP1 | |
| SCHEMBL12164188 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDPOLBTP53TDP1 | |
| SCHEMBL473961 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDPOLBKMT2AMAPT | |
| SCHEMBL473958 | 0.78 | ALDH1A1 (0.37) | ALDH1A1POLBTHRBCYP11B2 | |
| SCHEMBL474061 | 0.78 | KMO (0.38) | ALDH1A1HPGDPOLBTP53TDP1 | |
| SCHEMBL473993 | 0.78 | MAPK14 (0.40) | ALDH1A1TSHRAKR1C3AKR1C2ASAH1 | |
| SCHEMBL473905 | 0.76 | PSEN1 (0.34) | POLBTP53TDP1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2411365-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2012-02-01 | — | — | EP | disclosed |