Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL5712438 | 0.87 | CYP2A6 (0.40) | CYP2A6ADORA2APTPRCTSHRALDH1A1 | |
| SCHEMBL6872773 | 0.78 | ALDH1A1 (0.40) | ADORA2APTPRCTSHRALDH1A1NR4A2 | |
| SCHEMBL6870544 | 0.75 | CD44 (0.41) | ADORA2APTPRCTSHRALDH1A1CD44 | |
| SCHEMBL4089046 | 0.71 | CYP2A6 (0.50) | CYP2A6TSHRALDH1A1CYP3A4MEN1 | |
| SCHEMBL847407 | 0.69 | — | — | |
| SCHEMBL6873294 | 0.68 | PDE7A (0.41) | ADORA2APTPRCTSHRALDH1A1L3MBTL1 | |
| SCHEMBL2480042 | 0.68 | CYP3A4 (0.36) | CYP2A6TSHRALDH1A1CYP3A4HPGD | |
| SCHEMBL18985992 | 0.68 | TDP1 (0.48) | CYP2A6TSHRALDH1A1CYP3A4HSD17B10 | |
| Hydrochloric Acid SCHEMBL19874510 | 0.67 | — | — | |
| SCHEMBL8649337 | 0.67 | CYP2A6 (0.60) | CYP2A6ALDH1A1HPGDHSD17B10MAPK1 |
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 2738/4885ADORA2A 4604/4885PTPRC 4130/4885 |
“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.