Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | STK10 | O94804 | 1/20 | 0.47 |
| ▸ | SLK | Q9H2G2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 9/20 | 0.44 |
| ▸ | RAB9A | P51151 | 9/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL880253 | 0.76 | TDP1 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2LMNA | |
| SCHEMBL14942696 | 0.67 | KDM4E (0.38) | ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL14629328 | 0.66 | RAB9A (0.74) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL3112891 | 0.66 | NPC1 (0.78) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL30073965 | 0.66 | NPC1 (0.78) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL1821539 | 0.65 | PDE10A (0.67) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL4846237 | 0.65 | RAB9A (0.67) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL880449 | 0.65 | POLB (0.47) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL880409 | 0.65 | NPC1 (0.47) | ALDH1A1ADORA1DYRK1ANPC1RAB9A | |
| SCHEMBL3283083 | 0.63 | DYRK1A (1.00) | ALDH1A1ADORA1DYRK1ANPC1RAB9A |
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-8445677-B2 | Substituted pyrimidyl guanidine derivatives having anticancer activity | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2013-05-21 | — | — | US | disclosed |
| US-8445677-B2 | Substituted pyrimidyl guanidine derivatives having anticancer activity | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2013-05-21 | — | — | US | disclosed |
| US-20100160313-A1 | DISCOVERY OF NOVEL ANTICANCER COMPOUNDS BASED ON CONFORMATIONAL SAMPLING OF QUINOXALINHYDRAZIDE PHARMACOPHORE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2010-06-24 | — | — | US | disclosed |
| US-20100160313-A1 | DISCOVERY OF NOVEL ANTICANCER COMPOUNDS BASED ON CONFORMATIONAL SAMPLING OF QUINOXALINHYDRAZIDE PHARMACOPHORE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2010-06-24 | — | — | 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-20100160313-A1 | DISCOVERY OF NOVEL ANTICANCER COMPOUNDS BASED ON CONFORMATIONAL SAMPLING OF QUINOXALINHYDRAZIDE PHARMACOPHORE | ABCG2, NQO2, TOP1 | STK10 2689/4885SLK 3983/4885ALDH1A1 1121/4885 |
“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.