Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 3/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | LTK | P29376 | 2/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.36 |
| ▸ | PRKX | P51817 | 2/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.36 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.32 |
| ▸ | PRKACA | P17612 | 3/20 | 0.32 |
| ▸ | KDR | P35968 | 3/20 | 0.32 |
| ▸ | CDK8 | P49336 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12920656 | 0.74 | ADORA3 (0.38) | SMPD3ADORA3PKMCLK4BACE1 | |
| SCHEMBL21388571 | 0.74 | ADORA3 (0.35) | SMPD3ADORA3PKMBACE1DYRK1A | |
| SCHEMBL400723 | 0.71 | CLK4 (0.44) | ADORA3MAP2K2CLK4NTRK1LTK | |
| SCHEMBL5487220 | 0.70 | ADORA3 (0.42) | SMPD3ADORA3PKMCLK4BACE1 | |
| SCHEMBL14048219 | 0.69 | PDE10A (0.37) | ADORA3CLK4BACE1DYRK1APRKACA | |
| SCHEMBL12604060 | 0.69 | ADORA3 (0.35) | ADORA3CLK4BACE1DYRK1APRKACA | |
| SCHEMBL15935242 | 0.69 | ADORA3 (0.35) | ADORA3CLK4BACE1DYRK1APRKACA | |
| SCHEMBL399440 | 0.68 | CHEK1 (0.32) | DYRK1APRKACAKDRCDK8MAP2K1 | |
| SCHEMBL18879011 | 0.67 | PKM (0.41) | SMPD3PKMFGFR1BACE1HSP90AA1 | |
| SCHEMBL334476 | 0.65 | KDM4E (0.55) | PKMMAP2K2CLK4NTRK1LTK |
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 |
|---|---|---|---|---|---|---|---|
| US-7306631-B2 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2007-12-11 | — | — | US | disclosed |
| EP-1732509-A1 | KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION | The Procter and Gamble Company (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097052-A1 | KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION | THE PROCTER & GAMBLE COMPANY (US) | 2005-10-20 | — | — | WO | disclosed |
| US-20050229333-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | PROCTER & GAMBLE COMPANY, THE | 2005-10-20 | — | — | 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-20050229333-A1 | Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof | KRT18, CKMT1A; CKMT1B, JUP | SMPD3 4766/4885ADORA3 4765/4885PKM 251/4885 |
“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.