Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.35 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 1/20 | 0.34 |
| ▸ | RBP4 | P02753 | 2/20 | 0.34 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
| ▸ | KCNQ4 | P56696 | 1/20 | 0.33 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.33 |
| ▸ | KCNQ5 | Q9NR82 | 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 | |
|---|---|---|---|---|
| SCHEMBL6357932 | 0.87 | ALDH1A1 (0.69) | ALDH1A1CYP3A4HPGDTDP1TRPV4 | |
| SCHEMBL162277 | 0.87 | RAB9A (0.40) | ALDH1A1CYP3A4HPGDTDP1THRB | |
| SCHEMBL29648862 | 0.87 | RAB9A (0.40) | ALDH1A1CYP3A4HPGDTDP1THRB | |
| SCHEMBL620755 | 0.77 | ALDH1A1 (0.47) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL11201600 | 0.77 | CYP3A4 (0.44) | ALDH1A1CYP3A4HPGDTDP1TRPV4 | |
| SCHEMBL5070735 | 0.77 | CYP3A4 (0.63) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL8593598 | 0.76 | MAPK1 (0.47) | CYP3A4TDP1KDM4ETMPRSS4HTR3E | |
| SCHEMBL6370731 | 0.75 | ALDH1A1 (0.51) | ALDH1A1CYP3A4HPGDTDP1GAA | |
| SCHEMBL168350 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HPGDTDP1TRPV4 | |
| SCHEMBL30313129 | 0.75 | ALDH1A1 (0.54) | ALDH1A1CYP3A4HPGDTDP1TRPV4 |
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 | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| EP-0973936-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998046786-A1 | COMBINATORIAL LIBRARIES OF PEPTIDOMIMETIC AMINOTHIOETHER ACIDS | ELI LILLY AND COMPANY (US) | 1998-10-22 | — | — | WO | disclosed |