Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7787587 | 1.00 | HTT (0.46) | HTTAKR1C3AKR1C2TSHRACHE | |
| SCHEMBL7785144 | 0.93 | AKR1C3 (0.48) | HTTAKR1C3AKR1C2HPGDALDH1A1 | |
| SCHEMBL7787508 | 0.92 | AKR1C3 (0.45) | HTTAKR1C3AKR1C2TSHRHPGD | |
| SCHEMBL7784889 | 0.92 | AKR1C3 (0.45) | HTTAKR1C3AKR1C2TSHRHPGD | |
| SCHEMBL7785715 | 0.91 | AKR1C3 (0.44) | HTTAKR1C3AKR1C2HPGDALDH1A1 | |
| SCHEMBL7785302 | 0.90 | HTT (0.46) | HTTAKR1C3AKR1C2TSHRACHE | |
| SCHEMBL7785099 | 0.89 | AKR1C3 (0.43) | AKR1C3AKR1C2HPGDALDH1A1POLB | |
| SCHEMBL7785021 | 0.88 | AKR1C3 (0.42) | HTTAKR1C3AKR1C2HPGDCRHBP | |
| SCHEMBL7787701 | 0.88 | MAPK1 (0.45) | HTTAKR1C3AKR1C2ALDH1A1NFE2L2 | |
| SCHEMBL7780352 | 0.88 | MAPK1 (0.45) | HTTAKR1C3AKR1C2ALDH1A1NFE2L2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6329405-B1 | AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA | SANKYO COMPANY, LIMITED (JP) | 2001-12-11 | — | — | US | disclosed |
| CN-1287117-A | Cyclobutene derivatives, preparation method and therapeutic use thereof | SANKYO CO (JP) | 2001-03-14 | — | — | CN | disclosed |
| EP-1070703-A1 | Cyclobutene derivatives | Sankyo Company Limited (JP) | 2001-01-24 | — | — | EP | disclosed |