Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.49 |
| ▸ | ESR1 | P03372 | 3/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | USP8 | P40818 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20666181 | 0.86 | ADORA2A (0.47) | ADORA2AADORA1ADORA2BUSP8ALDH1A1 | |
| SCHEMBL20666151 | 0.82 | HSD17B1 (0.41) | HSD17B1HSD17B2ESR1ESR2ADORA2A | |
| SCHEMBL28823015 | 0.81 | USP8 (0.58) | ADORA2AADORA1ADORA2BUSP8ALDH1A1 | |
| SCHEMBL20666176 | 0.81 | ADORA1 (0.52) | HSD17B1HSD17B2ESR1ESR2ADORA2A | |
| SCHEMBL20666626 | 0.80 | ADORA2A (0.62) | ESR2ADORA2AADORA1ADORA2BUSP8 | |
| SCHEMBL20666180 | 0.79 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BUSP8ALDH1A1 | |
| SCHEMBL20666182 | 0.77 | ADORA2A (0.64) | HSD17B1HSD17B2ESR1ESR2ADORA2A | |
| SCHEMBL20657863 | 0.76 | ADORA2A (0.62) | ADORA2AADORA1ALDH1A1KDM4EHTT | |
| SCHEMBL28822967 | 0.76 | ADORA1 (0.56) | ADORA2AADORA1ADORA2BUSP8ALDH1A1 | |
| SCHEMBL28822957 | 0.76 | ADORA1 (0.56) | ADORA2AADORA1ADORA2BUSP8ALDH1A1 |
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-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC (US) | 2021-09-23 | — | — | US | disclosed |
| US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | NUVATION BIO INC. (US) | 2021-06-08 | — | — | US | disclosed |
| US-20190023666-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) | 2019-01-24 | — | — | 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 (3 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-20190023666-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | ADORA2A, ADORA3, ADORA1 | HSD17B1 4656/4885HSD17B2 4515/4885ESR1 1898/4885 |
| US-11028058-B2 | Heterocyclic compounds as adenosine antagonists | ADORA2A, ADORA3, ADORA1 | HSD17B1 4656/4885HSD17B2 4515/4885ESR1 1898/4885 |
| US-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | ADORA2A, ADORA3, ADORA1 | HSD17B1 4656/4885HSD17B2 4515/4885ESR1 1898/4885 |
“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.