Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11580974 | 0.76 | LMNA (0.46) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 | |
| SCHEMBL6692258 | 0.74 | ADAMTS5 (0.35) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 | |
| SCHEMBL10576904 | 0.72 | ADAMTS5 (0.42) | ALDH1A1 | |
| Ethane SCHEMBL28768900 | 0.72 | LMNA (0.43) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 | |
| SCHEMBL4642996 | 0.72 | LMNA (0.38) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 | |
| SCHEMBL2138946 | 0.72 | ADAMTS5 (0.42) | ALDH1A1 | |
| SCHEMBL10574702 | 0.72 | ADAMTS5 (0.42) | ALDH1A1 | |
| SCHEMBL4618724 | 0.72 | ADAMTS5 (0.35) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 | |
| SCHEMBL6691745 | 0.71 | ADAMTS5 (0.37) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 | |
| SCHEMBL10534656 | 0.71 | HDAC1 (0.37) | KDM4EALDH1A1CYP3A4GABRB3OPRD1 |
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-1883454-A2 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | Showa Denko K.K. (JP) | 2008-02-06 | — | — | EP | disclosed |
| WO-2006126729-A2 | AGENT FOR PERMANENT HAIR WAVING CONTAINING HETEROCYCLIC MERCAPTO COMPOUND | SHOWA DENKO K.K. (JP) | 2006-11-30 | — | — | WO | disclosed |