Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.58 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9008968 | 0.87 | SMPD3 (0.50) | SMPD3PDPK1LOXL2CYP2A6ESR1 | |
| SCHEMBL753260 | 0.80 | PDPK1 (0.60) | SMPD3PDPK1LOXL2CYP2A6RAB9A | |
| SCHEMBL31609722 | 0.80 | PDPK1 (0.60) | SMPD3PDPK1LOXL2CYP2A6RAB9A | |
| SCHEMBL466426 | 0.78 | PDPK1 (0.63) | SMPD3PDPK1LOXL2CYP2A6ESR1 | |
| Ammonia Solution, Strong SCHEMBL29239355 | 0.77 | PDPK1 (0.61) | SMPD3PDPK1LOXL2CYP2A6ESR1 | |
| SCHEMBL9457150 | 0.75 | SMPD3 (0.58) | SMPD3 | |
| SCHEMBL10013472 | 0.74 | SMPD3 (0.53) | SMPD3PDPK1LOXL2CYP2A6ADRB2 | |
| SCHEMBL722198 | 0.74 | PDPK1 (0.77) | SMPD3PDPK1LOXL2CYP2A6ADRB2 | |
| SCHEMBL11013274 | 0.74 | PDPK1 (0.52) | SMPD3PDPK1LOXL2CYP2A6ADRB2 | |
| SCHEMBL102331 | 0.72 | PDPK1 (0.59) | SMPD3PDPK1LOXL2CYP2A6ADRB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | SMPD3 4742/4885PDPK1 2067/4885LOXL2 1869/4885 |
“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.