Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.52 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 4/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 2/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.38 |
| ▸ | BCR | P11274 | 2/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | G6PD | P11413 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13879062 | 0.75 | CYP2A6 (0.62) | CYP2A6CYP2B6ESR1ESR2CYP3A4 | |
| SCHEMBL6068005 | 0.72 | ESR2 (0.68) | CYP2A6CYP2B6ESR1ESR2CYP3A4 | |
| SCHEMBL3138809 | 0.70 | CYP3A4 (0.53) | CYP2A6CYP2B6GAAESR1ESR2 | |
| SCHEMBL3609702 | 0.68 | CYP2A6 (1.00) | CYP2A6CYP2B6ESR1ESR2CYP3A4 | |
| SCHEMBL12422714 | 0.68 | CYP2A6 (0.68) | CYP2A6CYP2B6GAAESR1ESR2 | |
| SCHEMBL10176302 | 0.67 | CYP2A6 (0.44) | CYP2A6CYP2B6ESR1ESR2CYP3A4 | |
| SCHEMBL11947320 | 0.67 | ALDH1A1 (0.46) | CYP2A6CYP2B6ESR1ESR2CYP3A4 | |
| SCHEMBL12457156 | 0.67 | CYP2A6 (0.65) | CYP2A6CYP2B6ESR1ESR2CYP3A4 | |
| SCHEMBL26346270 | 0.67 | ABL1 (0.59) | GAAESR1ESR2CYP3A4CYP2C19 | |
| SCHEMBL1379376 | 0.65 | PDE10A (0.61) | CYP2A6CYP2B6GAAESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7125428-B2 | 1,3-Dihydroxybenzene derivatives and colorants containing said compounds | WELLA AG (DE) | 2006-10-24 | — | — | US | 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 772/4885CYP2B6 363/4885GAA 3269/4885 |
“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.