Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 2/20 | 0.56 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | ANO1 | Q5XXA6 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6720336 | 0.87 | NQO1 (0.64) | NQO1KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL6720324 | 0.86 | NQO1 (0.52) | NQO1VKORC1KDM4EALDH1A1GAA | |
| SCHEMBL6720345 | 0.84 | KDM4E (0.48) | NQO1VKORC1KDM4EALDH1A1HPGD | |
| SCHEMBL6720338 | 0.84 | NQO1 (0.53) | NQO1ANO1CA12CA9CNR2 | |
| SCHEMBL6720351 | 0.82 | KDM4E (0.44) | NQO1VKORC1KDM4EALDH1A1HPGD | |
| SCHEMBL6720352 | 0.81 | P2RX3 (0.47) | NQO1VKORC1KDM4EALDH1A1HPGD | |
| SCHEMBL10024698 | 0.77 | NPC1 (0.68) | NQO1VKORC1KDM4EALDH1A1HPGD | |
| SCHEMBL32662888 | 0.77 | CA12 (0.66) | NQO1KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL6468527 | 0.77 | CA12 (0.66) | NQO1KDM4EALDH1A1HPGDPOLB | |
| SCHEMBL6720350 | 0.76 | GPR55 (0.43) | NQO1VKORC1KDM4EALDH1A1CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183236-B2 | Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2012-05-22 | — | — | US | disclosed |
| US-8183236-B2 | Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2012-05-22 | — | — | US | disclosed |
| US-20090088420-A1 | COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2009-04-02 | — | — | US | disclosed |
| US-20090088420-A1 | COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2009-04-02 | — | — | 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-20090088420-A1 | COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS | TYMP, IMPDH1, SAMHD1 | NQO1 437/4885VKORC1 1365/4885KDM4E 1795/4885 |
“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.