Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1807692 | 1.00 | NFKB1 (0.38) | NFKB1NFKB2RELAHSD11B1CHRM1 | |
| SCHEMBL7642227 | 0.92 | NFKB1 (0.41) | NFKB1NFKB2RELAHSD11B1CHRM1 | |
| SCHEMBL1806691 | 0.91 | EPHX1 (0.42) | NFKB1NFKB2RELAHSD11B1CHRM1 | |
| SCHEMBL1559465 | 0.88 | NFKB1 (0.42) | NFKB1NFKB2RELAHSD11B1CHRM1 | |
| SCHEMBL1560444 | 0.80 | EPHX1 (0.41) | NFKB1NFKB2RELAHSD11B1EPHX1 | |
| SCHEMBL18380884 | 0.77 | SMYD3 (0.47) | NFKB1NFKB2RELAHSD11B1EPHX1 | |
| SCHEMBL7788916 | 0.77 | SMYD3 (0.47) | NFKB1NFKB2RELAHSD11B1EPHX1 | |
| SCHEMBL7470486 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3971132 | 0.75 | SMYD3 (0.46) | NFKB1NFKB2RELAHSD11B1EPHX1 | |
| SCHEMBL12988087 | 0.75 | GSTO1 (0.34) | EPHX1ALDH1A1NPC1RAB9APOLB |
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-8501961-B2 | HIV protease inhibitors and methods for using | PURDUE RESEARCH FOUNDATION (US) | 2013-08-06 | — | — | US | disclosed |
| US-20110118330-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | PURDUE RESEARCH FOUNDATION (US) | 2011-05-19 | — | — | 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-20110118330-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | SERPINB1, PREP, PEPD | NFKB1 1665/4885NFKB2 2395/4885RELA 3341/4885 |
“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.