Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 3/20 | 0.34 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5704914 | 0.83 | CA1 (0.44) | ESR2ESR1CYP3A4TSHRHSD17B1 | |
| Hydrochloric Acid SCHEMBL5704890 | 0.81 | CA1 (0.42) | ESR2ESR1CYP3A4TSHRHSD17B1 | |
| SCHEMBL6864530 | 0.80 | APP (0.37) | ESR2ESR1CYP3A4TSHRCASP1 | |
| SCHEMBL6136925 | 0.78 | CA1 (0.47) | ESR2ESR1CYP3A4TSHRHSD17B1 | |
| SCHEMBL22636591 | 0.78 | GABRP (0.41) | ALDH1A1HPGDHSD17B10KDM4ELMNA | |
| SCHEMBL22637090 | 0.78 | EGLN2 (0.38) | ESR2ESR1HSD17B1HSD17B2APP | |
| SCHEMBL10915722 | 0.78 | APP (0.43) | TSHRAPPALDH1A1HPGDKDM4E | |
| SCHEMBL6872885 | 0.77 | CASP1 (0.43) | ESR2ESR1CYP3A4TSHRCASP1 | |
| SCHEMBL22637248 | 0.75 | PTGS2 (0.44) | PTPN11LMNA | |
| Hydrochloric Acid SCHEMBL18172054 | 0.74 | ALDH1A1 (0.46) | CYP3A4TSHRHSD17B1HSD17B2CASP1 |
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 | ESR2 3804/4885ESR1 4247/4885CYP3A4 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.