Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 2/20 | 0.51 |
| ▸ | GFER | P55789 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 10/20 | 0.48 |
| ▸ | MAPT | P10636 | 9/20 | 0.48 |
| ▸ | POLB | P06746 | 5/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6436409 | 1.00 | AMY1A (0.53) | AMY1AMPOGFERGAAMAPT | |
| SCHEMBL6505459 | 0.81 | GAA (0.57) | MPOGFERGAAMAPTPOLB | |
| SCHEMBL6505451 | 0.81 | GAA (0.57) | MPOGFERGAAMAPTPOLB | |
| SCHEMBL6721450 | 0.81 | MAPT (0.52) | MPOGFERGAAMAPTPOLB | |
| SCHEMBL6502169 | 0.79 | MAPT (0.48) | GFERGAAMAPTPOLBRAB9A | |
| SCHEMBL6420465 | 0.79 | MAPT (0.48) | GFERGAAMAPTPOLBRAB9A | |
| SCHEMBL3058911 | 0.77 | KMT2A (0.47) | GAAMAPTPOLBRAB9AKDM4E | |
| SCHEMBL3058914 | 0.77 | KMT2A (0.47) | GAAMAPTPOLBRAB9AKDM4E | |
| SCHEMBL6506776 | 0.77 | MPO (0.49) | MPOGFERGAAMAPTPOLB | |
| SCHEMBL6506779 | 0.77 | MPO (0.49) | MPOGFERGAAMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20050143382-A1 | Heterocyclic compounds as pharmaceutically active compounds | 4SC AG (DE) | 2005-06-30 | — | — | US | disclosed |
| WO-2005044270-A1 | OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS | 4SC AG (DE) | 2005-05-19 | — | — | WO | disclosed |
| EP-1529531-A1 | Oxadiazolopyrazine derivatives as pharmaceutically active compounds | 4SC AG (DE) | 2005-05-11 | — | — | 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 (2 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 | AMY1A 4587/4885MPO 3278/4885GFER 3949/4885 |
| US-20050143382-A1 | Heterocyclic compounds as pharmaceutically active compounds | NR5A2, NR1H2, NR2C2 | AMY1A 4753/4885MPO 2980/4885GFER 1307/4885 |
“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.