Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KLK7 | P49862 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | VHL | P40337 | 1/20 | 0.34 |
| ▸ | ELOC | Q15369 | 1/20 | 0.34 |
| ▸ | ELOB | Q15370 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8110022 | 0.84 | KDM4E (0.54) | KDM4EALDH1A1HPGDKLK7PBRM1 | |
| SCHEMBL18753241 | 0.81 | KDM4E (0.41) | KDM4EALDH1A1HPGDKLK7VHL | |
| SCHEMBL13043709 | 0.81 | VHL (0.55) | KDM4EALDH1A1HPGDKLK7S100A4 | |
| SCHEMBL7418018 | 0.77 | PNMT (0.38) | PARP10PARP11HTR2AHTR2C | |
| SCHEMBL9367610 | 0.73 | HTR2A (0.39) | PARP10TDP1L3MBTL1PARP1HTR2A | |
| SCHEMBL13497572 | 0.73 | VHL (0.53) | KDM4EALDH1A1HPGDKLK7S100A4 | |
| SCHEMBL30917697 | 0.72 | PBRM1 (0.44) | PBRM1S100A4PARP10TDP1L3MBTL1 | |
| SCHEMBL30917701 | 0.72 | PBRM1 (0.44) | PBRM1S100A4PARP10TDP1L3MBTL1 | |
| SCHEMBL8617679 | 0.72 | PBRM1 (0.44) | PBRM1S100A4PARP10TDP1L3MBTL1 | |
| SCHEMBL31650648 | 0.72 | PBRM1 (0.44) | PBRM1S100A4PARP10TDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1039899-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | Takeda Chemical Industries, Ltd. (JP) | 2000-10-04 | — | — | EP | disclosed |
| WO-1999032100-A2 | PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-07-01 | — | — | WO | disclosed |