Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GALR2 | O43603 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | CCR6 | P51684 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 8/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL1894132 | 0.76 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL2818590 | 0.74 | LMNA (0.52) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL1245682 | 0.74 | ALDH1A1 (0.48) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL26120722 | 0.73 | ALDH1A1 (0.49) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL4289394 | 0.73 | LMNA (0.48) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL4070785 | 0.72 | ALDH1A1 (0.52) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL7288738 | 0.71 | GAA (0.45) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL1245984 | 0.70 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2HPGDGALR2 | |
| SCHEMBL21824314 | 0.69 | RAB9A (0.50) | ALDH1A1LMNASMN1; SMN2POLBGAA | |
| SCHEMBL25342867 | 0.69 | PTGS2 (0.39) | ALDH1A1LMNAPOLBMAPTRAB9A |
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 2 patents. 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 |
| WO-2010108903-A1 | 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-30 | — | — | WO | disclosed |