Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413584 | 0.88 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP1A2CYP2C19P2RX7 | |
| SCHEMBL12401288 | 0.87 | P2RX7 (0.51) | ALDH1A1CYP3A4CYP1A2CYP2C19P2RX7 | |
| SCHEMBL14943390 | 0.79 | MAPT (0.37) | ALDH1A1CYP3A4CYP1A2CYP2C19P2RX7 | |
| SCHEMBL6136261 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL12330572 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL12482254 | 0.75 | POLB (0.54) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL13359258 | 0.75 | HPGD (0.64) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL8574155 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL1272814 | 0.75 | ALDH1A1 (0.62) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD | |
| SCHEMBL7495851 | 0.73 | CYP3A4 (0.64) | ALDH1A1CYP3A4CYP1A2CYP2C19HPGD |
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-7985762-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-07-26 | — | — | US | disclosed |
| US-20070179167-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | 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-20070179167-A1 | Inhibitors of serine proteases | PRSS1, PRSS3, PRSS2 | ALDH1A1 1374/4885CYP3A4 219/4885CYP1A2 1349/4885 |
“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.