Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | BRD4 | O60885 | 1/20 | 0.49 |
| ▸ | TERT | O14746 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | ESRRB | O95718 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21742543 | 0.89 | ALDH1A1 (0.59) | SPHK2CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL19634295 | 0.85 | SPHK2 (0.58) | SPHK2CYP1A2KMT2AALDH1A1BRD4 | |
| SCHEMBL3861146 | 0.82 | MAOB (0.81) | SPHK2CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL12141627 | 0.81 | TSHR (0.64) | SPHK2CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL16213815 | 0.81 | L3MBTL1 (0.63) | KMT2AMEN1ALDH1A1HPGDNPC1 | |
| SCHEMBL23254636 | 0.81 | CYP1A2 (0.68) | SPHK2CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL28975147 | 0.80 | SPHK2 (0.55) | SPHK2CYP1A2TSHRNFKB1MAOB | |
| SCHEMBL7207554 | 0.80 | NPC1 (0.73) | CYP1A2TSHRNFKB1MAOBKMT2A | |
| SCHEMBL28830270 | 0.79 | CYP1A2 (0.70) | SPHK2CYP1A2TSHRNFKB1MAOB | |
| Hydrochloric Acid SCHEMBL9584772 | 0.79 | NPC1 (0.71) | CYP1A2TSHRNFKB1MAOBKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210169911-A1 | PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS | THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2021-06-10 | — | — | US | disclosed |
| WO-2020037275-A1 | PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2020-02-20 | — | — | WO | 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-20210169911-A1 | PURINE AND PYRIMIDINE NUCLEOTIDES AS ECTO-5'-NUCLEOTIDASE INHIBITORS | NUDT1, NTPCR, NT5C2 | SPHK2 1499/4885CYP1A2 3563/4885TSHR 2850/4885 |
“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.