Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.56 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.51 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4944457 | 0.88 | LOXL2 (0.54) | LOXL2CYP4A11CYP4F2MAPK1TSHR | |
| SCHEMBL20168295 | 0.84 | LOXL2 (0.58) | LOXL2CYP4A11CYP4F2MAPK1GAA | |
| SCHEMBL4589135 | 0.83 | LOXL2 (0.56) | LOXL2CYP4A11CYP4F2MAPK1GAA | |
| SCHEMBL5305730 | 0.82 | ESR1 (0.65) | TSHRNPC1KMT2ARAB9A | |
| SCHEMBL11532824 | 0.82 | L3MBTL1 (0.50) | NPC1HPGDTDP1KMT2ARAB9A | |
| SCHEMBL14541013 | 0.82 | ESR1 (0.65) | TSHRNPC1KMT2ARAB9A | |
| SCHEMBL15019650 | 0.81 | LOXL2 (0.59) | LOXL2CYP4A11CYP4F2MAPK1GAA | |
| SCHEMBL15019652 | 0.81 | LOXL2 (0.59) | LOXL2CYP4A11CYP4F2MAPK1GAA | |
| SCHEMBL25241069 | 0.81 | NOS2 (0.50) | ALDH1A1KMT2APOLB | |
| SCHEMBL7279699 | 0.80 | ATM (0.54) | NPC1ALDH1A1HSD17B10MAPTCA2 |
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-1976511-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | Merck & Co., Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| WO-2007087129-A2 | FLUORINATED ARYLAMIDE DERIVATIVES | MERCK & CO., INC. (US) | 2007-08-02 | — | — | WO | disclosed |