Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 3/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22190351 | 0.79 | PARP1 (0.48) | HTR2CPARP1PARP2ALDH1A1MEN1 | |
| SCHEMBL22201144 | 0.79 | PARP1 (0.48) | HTR2CPARP1PARP2ALDH1A1MEN1 | |
| SCHEMBL6170474 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL22201133 | 0.76 | ALDH1A1 (0.39) | ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL29746286 | 0.74 | PARP1 (0.53) | HTR2CPARP1PARP2ALDH1A1MEN1 | |
| SCHEMBL26613398 | 0.74 | PARP1 (0.53) | HTR2CPARP1PARP2ALDH1A1MEN1 | |
| SCHEMBL8530446 | 0.73 | PARP1 (0.46) | HTR2CPARP1PARP2L3MBTL1ALDH1A1 | |
| SCHEMBL19599022 | 0.72 | HTR2C (0.58) | HTR2CPARP1PARP2L3MBTL1ALDH1A1 | |
| SCHEMBL13189806 | 0.71 | HTR2C (0.52) | HTR2CPARP1PARP2L3MBTL1ALDH1A1 | |
| SCHEMBL12696992 | 0.69 | PARP1 (0.58) | HTR2CPARP1PARP2L3MBTL1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023078337-A1 | CDK8/19 DUAL INHIBITORS AND METHODS OF USE | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |
| WO-2023078337-A1 | CDK8/19 DUAL INHIBITORS AND METHODS OF USE | INSILICO MEDICINE IP LIMITED (CN) | 2023-05-11 | — | — | WO | disclosed |