Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | PELI1 | Q96FA3 | 2/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | ABL1 | P00519 | 3/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.48 |
| ▸ | BCR | P11274 | 3/20 | 0.48 |
| ▸ | ERN1 | O75460 | 5/20 | 0.47 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21944782 | 0.86 | ERN1 (0.45) | CYP2A6PELI1CYP2B6CYP2E1ERN1 | |
| SCHEMBL21944861 | 0.86 | ERN1 (0.49) | CYP2A6PELI1CYP2B6CYP2E1ERN1 | |
| SCHEMBL1689969 | 0.86 | CYP2A6 (0.42) | CYP2A6PELI1CYP2B6CYP2E1ABL1 | |
| SCHEMBL4442916 | 0.80 | HSD17B1 (0.58) | CYP2A6CYP2B6CYP2E1ERN1ACMSD | |
| SCHEMBL2125063 | 0.79 | CYP2A6 (0.72) | CYP2A6CYP2B6CYP2E1ERN1ACMSD | |
| SCHEMBL649500 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1ABL1ABCB1 | |
| SCHEMBL7448864 | 0.78 | CYP2A6 (0.58) | CYP2A6CYP2B6CYP2E1ABL1ABCB1 | |
| SCHEMBL21944869 | 0.77 | GAK (0.43) | CYP2A6PELI1ERN1 | |
| SCHEMBL21945438 | 0.77 | GAK (0.43) | CYP2A6PELI1CYP2B6CYP2E1ERN1 | |
| SCHEMBL30963844 | 0.77 | CYP2A6 (0.74) | CYP2A6CYP2B6CYP2E1ERN1ACMSD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7125428-B2 | 1,3-Dihydroxybenzene derivatives and colorants containing said compounds | WELLA AG (DE) | 2006-10-24 | — | — | US | claimed |
| 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 | claimed |
| 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 772/4885PELI1 848/4885CYP2B6 363/4885 |
“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.