Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.39 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.39 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4677987 | 1.00 | ALDH1A1 (0.63) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL5899359 | 0.88 | PKM (0.62) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL5899360 | 0.88 | PKM (0.62) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL4676800 | 0.87 | PKM (0.48) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL4676797 | 0.87 | PKM (0.48) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL4677991 | 0.77 | ALDH1A1 (0.51) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL4671386 | 0.77 | ALDH1A1 (0.51) | ALDH1A1PKMGRM4TUBB4ATUBB | |
| SCHEMBL4674580 | 0.77 | ALDH1A1 (0.39) | ALDH1A1GRM4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4672360 | 0.74 | RAPGEF4 (0.47) | ALDH1A1PKMAKR1C3AKR1C2AKR1C1 | |
| SCHEMBL4672356 | 0.74 | RAPGEF4 (0.47) | ALDH1A1PKMAKR1C3AKR1C2AKR1C1 |
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 | ALDH1A1 980/4885PKM 2609/4885GRM4 3013/4885 |
“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.