Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1714512 | 0.83 | ALDH1A1 (0.34) | ALDH1A1SOAT1MAPTHIF1ACYP1A2 | |
| SCHEMBL6291490 | 0.79 | MAPT (0.35) | ALDH1A1TP53MAPTHIF1APOLB | |
| SCHEMBL5754584 | 0.77 | ALDH1A1 (0.40) | ALDH1A1SOAT1LMNAGAA | |
| SCHEMBL8308690 | 0.73 | ALDH1A1 (0.48) | ALDH1A1SOAT1MAPTKDM4ELMNA | |
| Hydrochloric Acid SCHEMBL6291482 | 0.73 | OPRM1 (0.35) | ALDH1A1MAPTHIF1APOLBCYP1A2 | |
| SCHEMBL8311343 | 0.70 | ALDH1A1 (0.44) | ALDH1A1SOAT1MAPTPOLBKDM4E | |
| SCHEMBL7120130 | 0.70 | ALDH1A1 (0.44) | ALDH1A1SOAT1MAPTPOLBCYP2C9 | |
| SCHEMBL28201346 | 0.69 | MMP1 (0.31) | — | |
| SCHEMBL6058686 | 0.69 | MAPT (0.50) | ALDH1A1MAPTPOLBCYP2C9CYP2C19 | |
| SCHEMBL9929369 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1220841-B1 | TRIFLUOROMETHYL-SUBSTITUTED SPIROCYCLIC KETOENOLS | BAYER CROPSCIENCE AG (DE) | 2011-07-20 | — | — | EP | disclosed |
| EP-1220841-A2 | TRIFLUOROMETHYL-SUBSTITUTED SPIROCYCLIC KETOENOLS | Bayer Aktiengesellschaft (DE) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001023354-A2 | TRIFLUOROMETHYL-SUBSTITUTED SPIROCYCLIC KETOENOLS AND USE THEREOF AS PESTICIDES AND HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2001-04-05 | — | — | WO | disclosed |