Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.58 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.58 |
| ▸ | HTR2C | P28335 | 3/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10242828 | 0.81 | HTR2C (0.48) | PARP1PARP2HTR2CALDH1A1MAPT | |
| SCHEMBL12696878 | 0.78 | DDB1 (0.40) | PARP1PARP2KMT2AALDH1A1GAA | |
| SCHEMBL14722038 | 0.77 | PARP1 (0.67) | PARP1PARP2HTR2CHDAC11MEN1 | |
| SCHEMBL31324258 | 0.77 | ESR2 (0.44) | PARP1PARP2MEN1KMT2AALDH1A1 | |
| SCHEMBL19587006 | 0.77 | ALDH1A1 (0.40) | PARP1PARP2MEN1KMT2AALDH1A1 | |
| SCHEMBL22201144 | 0.76 | PARP1 (0.48) | PARP1PARP2HTR2CHDAC11MEN1 | |
| SCHEMBL22190351 | 0.76 | PARP1 (0.48) | PARP1PARP2HTR2CHDAC11MEN1 | |
| SCHEMBL10041515 | 0.76 | NOS1 (0.49) | PARP1PARP2KMT2AALDH1A1GAA | |
| SCHEMBL2199447 | 0.76 | NOS1 (0.49) | PARP1PARP2KMT2AALDH1A1GAA | |
| SCHEMBL13189806 | 0.75 | HTR2C (0.52) | PARP1PARP2HTR2CHDAC11MEN1 |
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-1765793-B1 | ANACETRAPIB AND OTHER CETP INHIBITPRS | MERCK SHARP & DOHME (US) | 2012-09-26 | — | — | EP | disclosed |