Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 4/20 | 0.33 |
| ▸ | MMP12 | P39900 | 4/20 | 0.33 |
| ▸ | MMP13 | P45452 | 4/20 | 0.33 |
| ▸ | MMP14 | P50281 | 4/20 | 0.33 |
| ▸ | MMP1 | P03956 | 3/20 | 0.33 |
| ▸ | MMP3 | P08254 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 3/20 | 0.33 |
| ▸ | MMP8 | P22894 | 3/20 | 0.33 |
| ▸ | MMP16 | P51512 | 3/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4672385 | 0.90 | MMP1 (0.35) | NPSR1MMP2MMP12MMP13MMP14 | |
| SCHEMBL4675882 | 0.90 | CXCR3 (0.35) | NPSR1ALDH1A1POLBKMT2AHTT | |
| SCHEMBL4677580 | 0.82 | CES1 (0.36) | NPSR1ALDH1A1CES1NCEH1POLB | |
| SCHEMBL4674637 | 0.82 | NPSR1 (0.43) | NPSR1ALDH1A1POLBMMP2MMP12 | |
| SCHEMBL4675843 | 0.80 | MMP2 (0.36) | NPSR1ALDH1A1CES1NCEH1ERCC5 | |
| SCHEMBL4677823 | 0.80 | MMP2 (0.37) | ALDH1A1CES1NCEH1ERCC5FEN1 | |
| SCHEMBL4674397 | 0.79 | HDAC3 (0.39) | ALDH1A1CES1NCEH1ERCC5FEN1 | |
| SCHEMBL5899367 | 0.79 | CES1 (0.36) | NPSR1ALDH1A1CES1NCEH1ERCC5 | |
| SCHEMBL4675587 | 0.78 | LOX (0.39) | ALDH1A1CES1NCEH1POLBERCC5 | |
| SCHEMBL4671660 | 0.78 | MMP2 (0.36) | ALDH1A1CES1NCEH1ERCC5FEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1142872-B1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-7098201-B2 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| US-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | FUJISHITA TOSHIO (JP) | 2004-01-01 | — | — | US | disclosed |
| US-6645956-B1 | 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment | SHIONOGI & CO., LTD. (JP) | 2003-11-11 | — | — | US | disclosed |
| US-6620841-B1 | Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) | SHIONOGI & CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| CN-1335834-A | Aromatic heterocyclic compounds having HIV integrase inhibitory activity | SHIONOGI & CO (JP) | 2002-02-13 | — | — | CN | disclosed |
| EP-1142872-A1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO., LTD. (JP) | 2001-10-10 | — | — | EP | 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-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | RCOR1, BCOR, CYP8B1 | NPSR1 937/4885ALDH1A1 980/4885CES1 445/4885 |
“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.