Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALM1 | P0DP23 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL340372 | 0.86 | CALM1 (0.45) | CALM1CES2CES1TSHRALDH1A1 | |
| Benzene SCHEMBL11030926 | 0.86 | CALM1 (0.45) | CALM1CES2CES1TSHRALDH1A1 | |
| Ethane SCHEMBL7199050 | 0.81 | TP53 (0.43) | CALM1CES2CES1KDM4ECYP3A4 | |
| SCHEMBL6503361 | 0.77 | CALM1 (0.41) | CALM1CES2CES1TSHRALDH1A1 | |
| SCHEMBL11023124 | 0.76 | TP53 (0.44) | CALM1CES2CES1KDM4ECYP3A4 | |
| Acetone SCHEMBL26919912 | 0.74 | CES2 (0.48) | CES2CES1TSHRALDH1A1CYP1A2 | |
| SCHEMBL20198224 | 0.74 | LMNA (0.47) | CYP3A4TSHRALOX12CYP1A2TDP1 | |
| Dimethyl Sulfone SCHEMBL10952244 | 0.74 | CA2 (0.40) | CES2CES1CYP3A4TP53CYP1A2 | |
| SCHEMBL79755 | 0.74 | CALM1 (0.67) | CALM1KDM4ECYP3A4MAPTTSHR | |
| SCHEMBL158694 | 0.74 | MAOA (0.50) | CALM1ALDH1A1LOXL2TAAR1MAOB |
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-1446115-A4 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA INC (CA) | 2005-02-02 | — | — | EP | claimed |
| EP-1446115-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | Merck Frosst Canada & Co. (CA) | 2004-08-18 | — | — | EP | claimed |
| WO-2003041649-A2 | CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-05-22 | — | — | WO | claimed |