Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 2/20 | 0.43 |
| ▸ | BCAT1 | P54687 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | SUV39H2 | Q9H5I1 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CCR6 | P51684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8418727 | 0.80 | SMN1; SMN2 (0.39) | BCAT2BCAT1ALDH1A1KDM4EHPGD | |
| SCHEMBL7030310 | 0.76 | L3MBTL1 (0.40) | BCAT2BCAT1ALDH1A1KDM4EGLA | |
| SCHEMBL8687627 | 0.74 | DRD1 (0.31) | DRD1 | |
| SCHEMBL30940103 | 0.74 | KMO (0.32) | DRD1 | |
| SCHEMBL9312250 | 0.73 | KMO (0.32) | — | |
| SCHEMBL7488864 | 0.73 | SMN1; SMN2 (0.36) | BCAT2BCAT1ALDH1A1KDM4EHPGD | |
| SCHEMBL6219513 | 0.71 | GRIK1 (0.33) | ALDH1A1KMT2A | |
| SCHEMBL8784413 | 0.71 | BRD4 (0.32) | DRD1 | |
| SCHEMBL6217982 | 0.71 | LMNA (0.31) | KMT2A | |
| SCHEMBL2590560 | 0.70 | BCAT2 (0.34) | BCAT2BCAT1 |
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-0759908-A1 | SUBSTITUTED DIAZACYCLOHEXANDI(THI)ONES | BAYER AG (DE) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995031440-A1 | SUBSTITUTED DIAZACYCLOHEXANDI(THI)ONES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-11-23 | — | — | WO | disclosed |