Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19145146 | 0.88 | HTR1A (0.43) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL14200309 | 0.79 | KDM4E (0.42) | DRD2DRD3KDM4EALDH1A1MAPT | |
| SCHEMBL19251504 | 0.76 | DRD2 (0.61) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL14554255 | 0.76 | HTR1A (0.47) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL14228541 | 0.76 | HTR1A (0.51) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL24915960 | 0.74 | HTR1A (0.41) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL8427926 | 0.74 | ALDH1A1 (0.49) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL25556713 | 0.73 | KDM4E (0.50) | HTR1ADRD2HTR2ADRD4HTR2C | |
| SCHEMBL14228215 | 0.73 | MAPT (0.38) | DRD3ALDH1A1TSHRMAPTGAA | |
| SCHEMBL13006367 | 0.73 | ADRA2C (0.56) | HTR1ADRD2HTR2CDRD3MAPT |
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 |