Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 4/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.39 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4676019 | 0.91 | KLKB1 (0.40) | KLKB1RIPK1HSD17B10ALDH1A1 | |
| SCHEMBL4673744 | 0.91 | KLKB1 (0.38) | KLKB1RIPK1CES1NCEH1L3MBTL1 | |
| SCHEMBL4671607 | 0.90 | LMNA (0.43) | KLKB1HSD17B10CREBBPHDAC3HDAC8 | |
| SCHEMBL4676023 | 0.90 | KLKB1 (0.42) | KLKB1POLBHSD17B10ALDH1A1 | |
| SCHEMBL4674633 | 0.89 | HSD17B10 (0.40) | KLKB1HSD17B10ALDH1A1 | |
| SCHEMBL4672655 | 0.89 | KLKB1 (0.43) | KLKB1L3MBTL1POLBTDP1SCD5 | |
| SCHEMBL4674679 | 0.88 | L3MBTL1 (0.44) | KLKB1L3MBTL1HSD17B10ERCC5FEN1 | |
| SCHEMBL4672787 | 0.86 | CREBBP (0.41) | CES1NCEH1L3MBTL1CREBBPHDAC3 | |
| SCHEMBL4670984 | 0.86 | ALDH1A1 (0.46) | KLKB1L3MBTL1SCD5ALDH1A1ERCC5 | |
| SCHEMBL4678760 | 0.82 | KLKB1 (0.41) | KLKB1RIPK1L3MBTL1POLBTDP1 |
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 | KLKB1 3843/4885RIPK1 4278/4885CES1 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.