Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.77 |
| ▸ | CA12 | O43570 | 1/20 | 0.74 |
| ▸ | CA1 | P00915 | 1/20 | 0.74 |
| ▸ | CA2 | P00918 | 1/20 | 0.74 |
| ▸ | CA9 | Q16790 | 1/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.71 |
| ▸ | GFER | P55789 | 1/20 | 0.69 |
| ▸ | ESRRG | P62508 | 2/20 | 0.68 |
| ▸ | ESR1 | P03372 | 1/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | RECQL | P46063 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.66 |
| ▸ | MEN1 | O00255 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL14907040 | 1.00 | CYP2D6 (0.77) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL13568879 | 0.93 | CYP2D6 (0.75) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL28506876 | 0.89 | KMT2A (0.78) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL19283325 | 0.87 | NPC1 (0.74) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL17825555 | 0.87 | POLB (0.84) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL1129164 | 0.87 | RAB9A (0.78) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL17825558 | 0.87 | POLB (0.84) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL19283324 | 0.87 | NPC1 (0.74) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL29349815 | 0.87 | CYP2D6 (1.00) | CYP2D6CA12CA1CA2CA9 | |
| SCHEMBL13791267 | 0.87 | RAB9A (0.78) | CYP2D6CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112079744-A | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2020-12-15 | — | — | CN | claimed |
| US-20170246130-A1 | 4-HYDROXYBENZOHYDARZIDE-A NEW CLASS OF ANGIOGENIC ENZYME THYMIDINE PHOSPHORYLASE INHIBITORS | CHOUDHARY MUHAMMAD IQBAL (PK) | 2017-08-31 | — | — | US | claimed |
| CN-112079744-B | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2021-07-30 | — | — | CN | disclosed |
| CN-112079744-A | Aromatic acylhydrazone derivatives and application thereof as NA (adenosine) inhibitor | 湖南大学 | 2020-12-15 | — | — | CN | disclosed |
| US-9873661-B2 | Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors | NEW YORK UNIVERSITY (US) | 2018-01-23 | — | — | US | disclosed |
| US-20170246130-A1 | 4-HYDROXYBENZOHYDARZIDE-A NEW CLASS OF ANGIOGENIC ENZYME THYMIDINE PHOSPHORYLASE INHIBITORS | CHOUDHARY MUHAMMAD IQBAL (PK) | 2017-08-31 | — | — | US | disclosed |
| US-20140275088-A1 | SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS | THE JOHNS HOPKINS UNIVERSITY | 2014-09-18 | — | — | 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 (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-20140275088-A1 | SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS | ALDOA, DERA, TALDO1 | CYP2D6 1612/4885CA12 4808/4885CA1 3936/4885 |
| US-20170246130-A1 | 4-HYDROXYBENZOHYDARZIDE-A NEW CLASS OF ANGIOGENIC ENZYME THYMIDINE PHOSPHORYLASE INHIBITORS | TYMP, DPYD, FLT4 | CYP2D6 2024/4885CA12 1079/4885CA1 1540/4885 |
“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.