Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | EGFR | P00533 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12512971 | 0.83 | ALDH1A1 (0.71) | ALDH1A1CYP2C19EGFRHTTRECQL | |
| SCHEMBL6895432 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2C19EGFRHTTPOLB | |
| SCHEMBL6895438 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2C19EGFRHTTPOLB | |
| SCHEMBL29505769 | 0.76 | ALDH1A1 (0.66) | ALDH1A1CYP2C19EGFRHTTPOLB | |
| SCHEMBL8549226 | 0.76 | ALDH1A1 (0.66) | ALDH1A1CYP2C19EGFRHTTPOLB | |
| SCHEMBL12780368 | 0.76 | RECQL (0.61) | ALDH1A1CYP2C19HTTRECQLPOLB | |
| SCHEMBL1966603 | 0.75 | EGFR (1.00) | ALDH1A1CYP2C19EGFRHTTKMT2A | |
| SCHEMBL1966601 | 0.75 | EGFR (1.00) | ALDH1A1CYP2C19EGFRHTTKMT2A | |
| SCHEMBL25078286 | 0.74 | ALDH1A1 (0.63) | ALDH1A1CYP2C19EGFRHTTPOLB | |
| SCHEMBL6694651 | 0.73 | SMN1; SMN2 (0.67) | ALDH1A1CYP2C19HTTRECQLPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110178092-A1 | HIV-1 Protease Inhibitors | UNIVERSITY OF MARYLAND, COLLEGE PARK | 2011-07-21 | — | — | US | disclosed |
| WO-2008118849-A2 | HIV-1 PROTEASE INHIBITORS | UNIVERSITY OF MASSACHUSETTS (US) | 2008-10-02 | — | — | WO | disclosed |
| WO-2007002172-A2 | HIV-1 PROTEASE INHIBITORS | UNIVERSITY OF MASSACHUSETTS (US) | 2007-01-04 | — | — | WO | 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-20110178092-A1 | HIV-1 Protease Inhibitors | SERPINB1, PRSS1, TMPRSS4 | ALDH1A1 2716/4885CYP2C19 3360/4885EGFR 4776/4885 |
“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.