Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | CCR8 | P51685 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16560329 | 0.76 | CCR1 (0.40) | CCR1CCR5CCR8HDAC6KDM4E | |
| SCHEMBL21594250 | 0.76 | ALDH1A1 (0.46) | KDM4EALDH1A1 | |
| SCHEMBL21780820 | 0.71 | CCR1 (0.32) | CCR1CCR5CCR8HDAC6NOS3 | |
| SCHEMBL14003487 | 0.71 | KDM4E (0.33) | HDAC6KDM4EALDH1A1 | |
| SCHEMBL26290116 | 0.71 | ADRA2A (0.32) | — | |
| SCHEMBL18779322 | 0.69 | PDE10A (0.40) | KDM4EALDH1A1 | |
| SCHEMBL14448979 | 0.68 | ALDH1A1 (0.37) | KDM4EALDH1A1 | |
| SCHEMBL14280518 | 0.67 | HDAC3 (0.44) | HDAC6ALDH1A1 | |
| SCHEMBL15229382 | 0.67 | KDM4E (0.30) | KDM4EALDH1A1 | |
| SCHEMBL14279802 | 0.67 | SLC6A3 (0.36) | KDM4EALDH1A1 |
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-20180079742-A1 | Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds | AUSPEX PHARMACEUTICALS, INC. | 2018-03-22 | — | — | 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-20180079742-A1 | Deuterium-Substituted Pyridin- And Pyrimidin-2-yl-Methylamine Compounds | HTR2C, HTR5A, HTR1A | CCR1 2289/4885CCR5 548/4885CCR8 1667/4885 |
“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.