Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP26A1 | O43174 | 2/20 | 0.57 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
| ▸ | CTSA | P10619 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17841461 | 1.00 | CYP26A1 (0.57) | CYP26A1CTSSCTSKCTSAALDH1A1 | |
| SCHEMBL3069373 | 1.00 | CYP26A1 (0.57) | CYP26A1CTSSCTSKCTSAALDH1A1 | |
| SCHEMBL13743049 | 0.90 | CTSS (0.47) | CYP26A1CTSSCTSKCTSAALDH1A1 | |
| SCHEMBL6094166 | 0.90 | CTSS (0.47) | CYP26A1CTSSCTSKCTSAALDH1A1 | |
| SCHEMBL5634374 | 0.89 | CTSS (0.47) | CYP26A1CTSSCTSKCTSAALDH1A1 | |
| SCHEMBL666770 | 0.87 | ALDH1A1 (0.49) | CYP26A1CTSSCTSKALDH1A1TSHR | |
| SCHEMBL4608845 | 0.87 | ALDH1A1 (0.49) | CYP26A1CTSSCTSKALDH1A1TSHR | |
| SCHEMBL14638888 | 0.87 | ALDH1A1 (0.49) | CYP26A1CTSSCTSKALDH1A1TSHR | |
| SCHEMBL18640871 | 0.87 | CYP26A1 (0.42) | CYP26A1CTSSCTSKCTSAALDH1A1 | |
| SCHEMBL30412448 | 0.86 | CTSA (0.53) | CYP26A1CTSSCTSKCTSATSHR |
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-20050124683-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | AGOURON PHARMACEUTICALS, INC. | 2005-06-09 | — | — | US | disclosed |
| WO-2005026114-A1 | HIV PROTEASE INHIBITORS, COMPOSITIONS CONTAINING THE SAME AND THEIR PHARMACEUTICAL USES | PFIZER INC. (US) | 2005-03-24 | — | — | WO | disclosed |
| CN-1533400-A | Probes, system and methods for drug discovery | ����˹̩����ҩ��˾ | 2004-09-29 | — | — | CN | 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-20050124683-A1 | HIV protease inhibitors, compositions containing the same, their pharmaceutical uses and materials for their synthesis | PEPD, SERPINB1, ACE | CYP26A1 2163/4885CTSS 12/4885CTSK 33/4885 |
“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.