Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 7/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.38 |
| ▸ | PDE5A | O76074 | 3/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21709402 | 0.94 | CYP2D6 (0.42) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709404 | 0.91 | CYP2D6 (0.44) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709277 | 0.86 | CYP2D6 (0.47) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709397 | 0.86 | PDE5A (0.42) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709409 | 0.85 | EGFR (0.36) | CYP1A2CYP2D6CYP2C19CLK4MAPK1 | |
| SCHEMBL21709395 | 0.83 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709323 | 0.83 | MEN1 (0.38) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709403 | 0.82 | CYP2D6 (0.40) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL21709508 | 0.82 | PDE5A (0.38) | CYP1A2CYP2D6CYP3A4CYP2C19CLK4 | |
| SCHEMBL26002228 | 0.80 | CA12 (0.39) | CYP2C19CYP2C9HSD17B10MAPK1TSHR |
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-20200048207-A1 | COMPOUNDS WITH ARYLAMINE STRUCTURES | MERCK PATENT GMBH (DE) | 2020-02-13 | — | — | 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-20200048207-A1 | COMPOUNDS WITH ARYLAMINE STRUCTURES | DDT, NAT1, INMT | CYP1A2 64/4885CYP2D6 24/4885CYP3A4 108/4885 |
“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.