Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.44 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20767501 | 0.85 | PARP1 (0.45) | PARP1TRIM24TRIM33NFE2L2SMN1; SMN2 | |
| SCHEMBL17595558 | 0.84 | TRIM24 (0.48) | PARP1TRIM24TRIM33ALDH1A1HTT | |
| SCHEMBL27721079 | 0.80 | MAOB (0.44) | TRIM24TRIM33NFE2L2ALDH1A1SMN1; SMN2 | |
| SCHEMBL26683429 | 0.79 | PARP1 (0.50) | PARP1SMN1; SMN2CYP1A2CYP2C19HSP90AA1 | |
| SCHEMBL10696454 | 0.77 | PARP1 (0.49) | PARP1SMN1; SMN2CYP1A2CYP2C19HSP90AA1 | |
| SCHEMBL17225909 | 0.77 | TRIM24 (0.52) | TRIM24TRIM33NFE2L2ALDH1A1HTT | |
| SCHEMBL27742004 | 0.76 | MEN1 (0.49) | TRIM24TRIM33ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL13851903 | 0.75 | L3MBTL1 (0.55) | ALDH1A1CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL15738996 | 0.74 | KMT2A (0.53) | PARP1ALDH1A1SMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL17183939 | 0.73 | PARP1 (0.46) | PARP1ALDH1A1SMN1; SMN2CYP1A2CYP2C19 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210300872-A1 | SECOND GENERATION GRP94-SELECTIVE INHIBITORS | UNIVERSITY OF KANSAS | 2021-09-30 | — | — | US | disclosed |
| US-11028041-B2 | Second generation GRP94-selective inhibitors | UNIVERSITY OF KANSAS (US) | 2021-06-08 | — | — | US | disclosed |
| US-20200190017-A1 | SECOND GENERATION GRP94-SELECTIVE INHIBITORS | UNIVERSITY OF KANSAS | 2020-06-18 | — | — | US | disclosed |
| WO-2019040792-A1 | SECOND GENERATION GRP94-SELECTIVE INHIBITORS | UNIVERSITY OF KANSAS (US) | 2019-02-28 | — | — | WO | disclosed |
| US-9006451-B1 | 2-anilinonicotinyl based chalcones useful as potential anticancer agents and process for preparation thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2015-04-14 | — | — | US | disclosed |
| US-20150099888-A1 | 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2015-04-09 | — | — | 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 (4 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-20210300872-A1 | SECOND GENERATION GRP94-SELECTIVE INHIBITORS | HSP90B1, HSP90AB2P, HSPE1 | PARP1 4526/4885TRIM24 1109/4885TRIM33 2080/4885 |
| US-11028041-B2 | Second generation GRP94-selective inhibitors | HSP90B1, HSP90AB2P, HSPE1 | PARP1 4481/4885TRIM24 1104/4885TRIM33 2021/4885 |
| US-20200190017-A1 | SECOND GENERATION GRP94-SELECTIVE INHIBITORS | HSP90B1, HSP90AB2P, HSPE1 | PARP1 4481/4885TRIM24 1104/4885TRIM33 2021/4885 |
| US-20150099888-A1 | 2-Anilinonicotinyl Based Chalcones Useful As Potential Anticancer Agents and Process for Preparation Thereof | HCCS, WEE2, WEE1 | PARP1 3631/4885TRIM24 2332/4885TRIM33 3842/4885 |
“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.