Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 6/20 | 1.00 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.72 |
| ▸ | CA12 | O43570 | 3/20 | 0.66 |
| ▸ | CA1 | P00915 | 3/20 | 0.66 |
| ▸ | CA2 | P00918 | 3/20 | 0.66 |
| ▸ | CA4 | P22748 | 3/20 | 0.66 |
| ▸ | CA6 | P23280 | 3/20 | 0.66 |
| ▸ | CA7 | P43166 | 3/20 | 0.66 |
| ▸ | CA9 | Q16790 | 3/20 | 0.66 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.66 |
| ▸ | CA3 | P07451 | 2/20 | 0.66 |
| ▸ | CA5A | P35218 | 2/20 | 0.66 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.66 |
| ▸ | PKM | P14618 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.56 |
| ▸ | TUBB | P07437 | 2/20 | 0.56 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.56 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.56 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL503998 | 1.00 | TPMT (1.00) | TPMTPTGS2CA12CA1CA2 | |
| SCHEMBL22824410 | 0.90 | TPMT (0.81) | TPMTPTGS2CA12CA1CA2 | |
| SCHEMBL793706 | 0.88 | TPMT (0.78) | TPMTPTGS2CA12CA1CA2 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 | 0.88 | TPMT (0.78) | TPMTPTGS2CA12CA1CA2 | |
| SCHEMBL25359586 | 0.87 | TPMT (0.77) | TPMTPTGS2CA12CA1CA2 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL11023602 | 0.86 | TPMT (0.75) | TPMTPTGS2CA12CA1CA2 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 | 0.86 | TPMT (0.75) | TPMTPTGS2CA12CA1CA2 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 | 0.86 | TPMT (0.75) | TPMTPTGS2CA12CA1CA2 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 | 0.86 | TPMT (0.75) | TPMTPTGS2CA12CA1CA2 | |
| SCHEMBL12245712 | 0.85 | TPMT (0.73) | TPMTPTGS2HTTTUBB4ATUBB |
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 |
|---|---|---|---|---|---|---|---|
| CN-118076610-A | Macrocyclic compounds with ENT1 inhibitory activity | ITEOS比利时公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-116535365-A | Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer | ITEOS比利时公司 | 2023-08-04 | — | — | CN | disclosed |
| EP-4132933-A1 | MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS | iTeos Belgium SA (BE) | 2023-02-15 | — | — | EP | disclosed |