Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 2/20 | 0.54 |
| ▸ | PI4KA | P42356 | 1/20 | 0.51 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.51 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.51 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL20699834 | 0.88 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBADORA3 | |
| SCHEMBL12379237 | 0.88 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBADORA3 | |
| SCHEMBL18571809 | 0.88 | PI4KA (0.62) | PI4KAPI4K2BPI4K2API4KBADORA3 | |
| SCHEMBL17920478 | 0.86 | ADORA1 (0.61) | NT5EADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL18526660 | 0.86 | PI4KA (0.46) | NT5EPI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL24835571 | 0.84 | NT5E (0.58) | NT5EADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL17213470 | 0.84 | PI4KA (0.50) | PI4KAPI4K2BPI4K2API4KBADORA3 | |
| SCHEMBL17920435 | 0.84 | NT5E (0.70) | NT5EADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL17920514 | 0.84 | NT5E (0.70) | NT5EADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL7203458 | 0.82 | PI4KA (0.53) | PI4KAPI4K2BPI4K2API4KBADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170044203-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| US-20170044203-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-02-16 | — | — | US | disclosed |
| WO-2015164573-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | VITAE PHARMACEUTICALS, INC. (US) | 2015-10-29 | — | — | 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-20170044203-A1 | PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER | ENTPD5, ENTPD1, NT5E | NT5E 3/4885PI4KA 1715/4885PI4K2B 2423/4885 |
“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.