Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 4/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.41 |
| ▸ | BCR | P11274 | 4/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | NQO1 | P15559 | 1/20 | 0.33 |
| ▸ | EIF4E | P06730 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6067913 | 0.73 | ESR1 (0.53) | CYP2A6ESR1ESR2GAAMAPK1 | |
| SCHEMBL6067912 | 0.73 | ESR1 (0.53) | CYP2A6ESR1ESR2GAAMAPK1 | |
| SCHEMBL3128389 | 0.72 | CYP3A4 (0.53) | CYP2A6ESR1ESR2GAAEIF4E | |
| SCHEMBL547061 | 0.71 | CYP2A6 (0.50) | CYP2A6CYP17A1CASP3RAB9ASMN1; SMN2 | |
| SCHEMBL8649337 | 0.71 | CYP2A6 (0.60) | CYP2A6BACE1CYP17A1MAPK1CASP3 | |
| SCHEMBL6067868 | 0.71 | ESR1 (0.46) | ESR1ESR2ABL1ABCB1BCR | |
| SCHEMBL8444038 | 0.69 | PTGS1 (0.46) | CYP2A6GAAPTGS1NPC1CASP3 | |
| SCHEMBL1521833 | 0.68 | CYP2A6 (0.47) | CYP2A6CYP17A1 | |
| SCHEMBL28311793 | 0.67 | CYP2A6 (0.55) | CYP2A6CYP17A1MAPK1HPGDHSD17B10 | |
| SCHEMBL5704936 | 0.67 | CA1 (0.44) | CYP2A6ESR1ESR2GAAEIF4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100349886-C | 1, 3-dihydroxybenzene derivatives and coloring agents containing the same | WELLA AG (US) | 2007-11-21 | — | — | CN | disclosed |
| US-7125428-B2 | 1,3-Dihydroxybenzene derivatives and colorants containing said compounds | WELLA AG (DE) | 2006-10-24 | — | — | US | disclosed |
| CN-1633426-A | 1, 3-dihydroxybenzene derivatives and coloring agents containing the same | WELLA AG (US) | 2005-06-29 | — | — | CN | disclosed |
| US-20040016063-A1 | 1,3-Dihydroxybenzene derivatives and colorants containing said compounds | HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) | 2004-01-29 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040016063-A1 | 1,3-Dihydroxybenzene derivatives and colorants containing said compounds | KRT18, DSP, COL1A1 | CYP2A6 772/4885ESR1 2061/4885ESR2 1641/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.