Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.53 |
| ▸ | USP2 | O75604 | 6/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7082016 | 0.85 | CYP2D6 (0.48) | CYP2D6HSD17B10CYP3A4USP2CYP2C19 | |
| SCHEMBL17140845 | 0.84 | GPR119 (0.51) | CYP3A4CYP2C19TSHR | |
| SCHEMBL30216673 | 0.83 | PARP14 (0.49) | CYP2D6CYP2C19CYP1A2TSHR | |
| SCHEMBL7079042 | 0.82 | CYP2D6 (0.48) | CYP2D6HSD17B10CYP3A4USP2CYP2C19 | |
| SCHEMBL7076914 | 0.79 | CYP2D6 (0.43) | CYP2D6HSD17B10CYP3A4USP2CYP2C19 | |
| SCHEMBL6989644 | 0.78 | ALDH1A1 (0.51) | CYP2D6HSD17B10CYP3A4USP2CYP2C19 | |
| SCHEMBL377671 | 0.78 | ALDH1A1 (0.58) | CYP2D6HSD17B10CYP3A4ALDH1A1MAPK1 | |
| SCHEMBL7083930 | 0.77 | ALDH1A1 (0.51) | CYP2D6HSD17B10CYP3A4USP2CYP2C19 | |
| SCHEMBL27614055 | 0.77 | TGFBR1 (0.54) | — | |
| SCHEMBL1668889 | 0.77 | CYP2D6 (0.47) | CYP2D6HSD17B10CYP3A4CYP2C19ALDH1A1 |
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-20030162814-A1 | N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives | MERCK PATENT GMBH (DE) | 2003-08-28 | — | — | 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-20030162814-A1 | N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives | F5, CCNY, F2 | CYP2D6 2624/4885HSD17B10 2620/4885CYP3A4 4280/4885 |
“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.