Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL5712523 | 0.87 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL6870619 | 0.80 | ADORA2A (0.39) | CYP2A6CYP2B6CYP3A4CD44TSHR | |
| SCHEMBL6873213 | 0.75 | TSHR (0.39) | CYP3A4TSHRPIK3CATDP1ADORA2A | |
| SCHEMBL13879062 | 0.74 | CYP2A6 (0.62) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL3462069 | 0.71 | CD44 (0.65) | CYP2A6CYP3A4CD44TSHRPIK3CA | |
| SCHEMBL30839716 | 0.71 | CD44 (0.65) | CYP2A6CYP3A4CD44TSHRPIK3CA | |
| SCHEMBL28203049 | 0.71 | CYP3A4 (0.54) | CYP3A4CD44TSHRPIK3CADPP4 | |
| SCHEMBL7462631 | 0.69 | CASP1 (0.45) | CYP2A6CYP2B6CYP3A4CYP2C19CYP2E1 | |
| SCHEMBL16497559 | 0.69 | CD44 (0.62) | CYP2A6CYP3A4CYP2D6CYP2C9CD44 | |
| SCHEMBL26505788 | 0.69 | CD44 (0.62) | CYP2A6CYP3A4CD44TSHRPIK3CA |
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-6811573-B2 | HAIR DYES; INTENSE, STABLE BLUE COLOR SHADES IN ADDITION TO NATURAL, PURPLE OR VIOLET ONES | WELLA AKTIENGESELLSCHAFT (DE) | 2004-11-02 | — | — | US | disclosed |
| US-20030093867-A1 | Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives | HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) | 2003-05-22 | — | — | 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-20030093867-A1 | Dyes for keratin fibres containing 1,3-diamino-4-heteroarylbenzene derivatives and novel 1,3-diamino-4-heteroarylbenzene derivatives | KRT18, DSP, TUBB4B | CYP2A6 2738/4885CYP2B6 1706/4885CYP3A4 1828/4885 |
“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.