Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 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 | |
|---|---|---|---|---|
| SCHEMBL18999634 | 0.83 | HTR1D (0.40) | LMNATRPA1PTGS1CACNA1CHTR1D | |
| SCHEMBL21969437 | 0.80 | HTR1D (0.41) | LMNAHTR1DHTR1BACHEBCHE | |
| SCHEMBL19007315 | 0.78 | HTT (0.39) | LMNATRPA1SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL23983215 | 0.78 | ALDH1A1 (0.44) | LMNAHTR1DHTR1BHPGDSMN1; SMN2 | |
| SCHEMBL14228579 | 0.77 | LMNA (0.54) | LMNATRPA1PTGS1CACNA1CACHE | |
| SCHEMBL13130519 | 0.76 | HTR1D (0.38) | LMNAHTR1DHTR1BHPGDSMN1; SMN2 | |
| SCHEMBL23520055 | 0.74 | LMNA (0.50) | LMNATRPA1PTGS1CACNA1CACHE | |
| SCHEMBL8148875 | 0.73 | TRPA1 (0.36) | LMNATRPA1PTGS1CACNA1CACHE | |
| SCHEMBL26514879 | 0.73 | LMNA (0.48) | LMNATRPA1PTGS1CACNA1CACHE | |
| SCHEMBL12648604 | 0.72 | HPGD (0.42) | HTR1DHTR1BHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122353-B1 | SUBSTITUTED INDOLE MCL-1 INHIBITORS | UNIV VANDERBILT (US) | 2020-10-28 | — | — | EP | disclosed |