Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.35 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL2164574 | 0.80 | ALDH1A1 (0.36) | ALDH1A1THRBRECQLLCKPPARD | |
| SCHEMBL11048577 | 0.79 | ALDH1A1 (0.40) | ALDH1A1THRBRECQLCYP2C19TSHR | |
| SCHEMBL3982539 | 0.78 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL5523348 | 0.76 | FFAR1 (0.41) | ALDH1A1THRBRECQLLCKPPARD | |
| SCHEMBL9451010 | 0.75 | ALDH1A1 (0.32) | ALDH1A1THRBRECQLCYP2C19TSHR | |
| SCHEMBL142216 | 0.74 | CHRM1 (0.36) | ALDH1A1CYP2C19TSHRCHRM1AKR1A1 | |
| SCHEMBL8668420 | 0.74 | CHRM1 (0.36) | ALDH1A1CYP2C19TSHRCHRM1AKR1A1 | |
| SCHEMBL11414083 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CYP2C19LMNA | |
| SCHEMBL45523 | 0.73 | — | — | |
| SCHEMBL30170231 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1352637-A | Process for preparing MKC-442 | TRIANGLE PHARMACEUTICALS INC (US) | 2002-06-05 | — | — | CN | disclosed |
| EP-1169310-A1 | PROCESS FOR PREPARING MKC-442 | Triangle Pharmaceuticals Inc. (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1169310-A1 | PROCESS FOR PREPARING MKC-442 | Triangle Pharmaceuticals Inc. (US) | 2002-01-09 | — | — | EP | disclosed |
| WO-2000061566-A1 | PROCESS FOR PREPARING MKC-442 | TRIANGLE PHARMACEUTICALS, INC. (US) | 2000-10-19 | — | — | WO | disclosed |
| WO-2000061566-A1 | PROCESS FOR PREPARING MKC-442 | TRIANGLE PHARMACEUTICALS, INC. (US) | 2000-10-19 | — | — | WO | disclosed |
| EP-0048159-A2 | Novel carboxyalkyl peptides and thioethers and ethers of peptides as antihypertensive agents | UNIVERSITY OF MIAMI (US) | 1982-03-24 | — | — | EP | disclosed |