Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.31 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23555260 | 0.91 | CYP3A4 (0.46) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL21158710 | 0.89 | CYP2D6 (0.47) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL20153178 | 0.84 | CYP3A4 (0.48) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL21217092 | 0.82 | CYP2D6 (0.42) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL23555134 | 0.79 | CYP3A4 (0.45) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL25742660 | 0.79 | TSHR (0.44) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL21351230 | 0.77 | CYP2D6 (0.40) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL18705149 | 0.74 | CYP2D6 (0.46) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL20153221 | 0.72 | CYP2D6 (0.47) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 | |
| SCHEMBL27257210 | 0.72 | CYP2D6 (0.40) | CYP3A4CYP2D6ALDH1A1USP2CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | 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-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADI4, PADI1, PADI2 | CYP3A4 1363/4885CYP2D6 3038/4885ALDH1A1 955/4885 |
“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.