Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR1B | P28222 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.35 |
| ▸ | DHFR | P00374 | 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 | |
|---|---|---|---|---|
| SCHEMBL14858457 | 0.82 | ERN1 (0.45) | ALDH1A1MAPTHPGD | |
| SCHEMBL2093540 | 0.81 | RAPGEF4 (0.52) | ALDH1A1RAPGEF4 | |
| SCHEMBL11915499 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HTR1DHTR1BTAS1R3TAS1R1 | |
| SCHEMBL8716465 | 0.77 | CYP3A4 (0.46) | ALDH1A1MAPTHPGDRAPGEF4 | |
| SCHEMBL10501503 | 0.77 | ALDH1A1 (0.36) | ALDH1A1RAPGEF4 | |
| SCHEMBL16520251 | 0.77 | HMGB1 (0.38) | ALDH1A1RAPGEF4 | |
| SCHEMBL10500612 | 0.74 | FFAR4 (0.47) | ALDH1A1HPGDRAPGEF4 | |
| SCHEMBL10499823 | 0.74 | TSHR (0.35) | ALDH1A1MAPTRAPGEF4 | |
| SCHEMBL25732352 | 0.74 | LMNA (0.35) | RAPGEF4 | |
| SCHEMBL25732294 | 0.74 | S1PR4 (0.35) | ALDH1A1MAPTRAPGEF4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189891-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-03-27 | — | — | EP | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | claimed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | claimed |
| US-6362342-B1 | BIOSYNTHESIS; DRUG LIBRARIES | LION BIOSCIENCE AG (DE) | 2002-03-26 | — | — | US | disclosed |