Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 10/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | PDE5A | O76074 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21709504 | 0.92 | CYP2D6 (0.45) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709458 | 0.89 | CYP2D6 (0.41) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709402 | 0.88 | CYP2D6 (0.42) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709404 | 0.85 | CYP2D6 (0.44) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709502 | 0.82 | CYP1A2 (0.40) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709477 | 0.82 | MEN1 (0.45) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL17752850 | 0.81 | KDM4E (0.32) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709397 | 0.80 | PDE5A (0.42) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL21709277 | 0.80 | CYP2D6 (0.47) | CYP2D6CYP1A2CYP3A4CYP2C19TSHR | |
| SCHEMBL17974878 | 0.79 | PDK2 (0.37) | LMNASMN1; SMN2KDM4EMAPTMEN1 |
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 | CYP2D6 24/4885CYP1A2 64/4885CYP3A4 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.