Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 3/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.48 |
| ▸ | TTR | P02766 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17655776 | 0.84 | CYP1A1 (0.61) | PTGS1TTRKDM4ELMNACYP1A1 | |
| SCHEMBL14416282 | 0.84 | CYP1A1 (0.61) | PTGS1TTRKDM4ELMNACYP1A1 | |
| SCHEMBL31545033 | 0.82 | LCK (0.54) | LCKPTGS1TTRKDM4ELMNA | |
| SCHEMBL9743228 | 0.79 | CYP3A4 (0.45) | LCKPTGS1KDM4ELMNAMEN1 | |
| SCHEMBL9743233 | 0.79 | CYP3A4 (0.45) | LCKPTGS1KDM4ELMNAMEN1 | |
| SCHEMBL2030815 | 0.79 | LCK (0.50) | LCKPTGS1TTRKDM4ELMNA | |
| SCHEMBL2030814 | 0.79 | LCK (0.50) | LCKPTGS1TTRKDM4ELMNA | |
| SCHEMBL16167025 | 0.79 | LCK (0.59) | LCKPTGS1PTGS2MAOBABL1 | |
| SCHEMBL16167021 | 0.79 | LCK (0.59) | LCKPTGS1PTGS2MAOBABL1 | |
| SCHEMBL9066968 | 0.77 | LCK (0.52) | LCKPTGS1TTRKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-106999382-B | Hair deforming agent | 花王株式会社 | 2020-07-10 | — | — | CN | disclosed |
| CN-106999380-B | Hair deforming agent | 花王株式会社 | 2020-05-05 | — | — | CN | disclosed |