Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.44 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21142258 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL6696444 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL15273014 | 0.85 | ALDH1A1 (0.52) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL17794436 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL1923372 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL29688279 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL28651741 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL1011046 | 0.82 | ALDH1A1 (0.57) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL4171886 | 0.82 | CYP2A6 (0.53) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A | |
| SCHEMBL28727267 | 0.80 | RAPGEF4 (0.49) | ALDH1A1CYP3A4HSD17B10HPGDHIF1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040009973-A1 | Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups | 4SC AG (DE) | 2004-01-15 | — | — | 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-20040009973-A1 | Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups | PAH, PNMT, OPRM1 | ALDH1A1 458/4885CYP3A4 16/4885HSD17B10 832/4885 |
“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.