Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ASAH1 | Q13510 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL473993 | 0.92 | MAPK14 (0.40) | ALDH1A1TSHRASAH1KMO | |
| SCHEMBL474051 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HPGDMEN1KMT2AASAH1 | |
| SCHEMBL473904 | 0.85 | ALDH1A1 (0.46) | ALDH1A1TSHRHPGDMEN1KMT2A | |
| SCHEMBL474023 | 0.84 | PDK1 (0.40) | ALDH1A1TSHRHPGDMEN1KMT2A | |
| SCHEMBL473839 | 0.83 | RORC (0.35) | ALDH1A1TSHRPOLBPDK2 | |
| SCHEMBL12164104 | 0.83 | RORC (0.35) | ALDH1A1TSHRPOLBPDK2 | |
| SCHEMBL474394 | 0.79 | POLB (0.36) | ALDH1A1EGFRPTGS2POLBPDK2 | |
| SCHEMBL474057 | 0.78 | KMO (0.36) | ALDH1A1HPGDASAH1KMOSMN1; SMN2 | |
| SCHEMBL12164107 | 0.77 | KCNJ1 (0.39) | ALDH1A1TSHRPDK2 | |
| SCHEMBL473863 | 0.77 | KCNJ1 (0.39) | ALDH1A1TSHRPDK2 |
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 |