Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 5/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.36 |
| ▸ | DHODH | Q02127 | 3/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.34 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21125469 | 0.98 | ENPP3 (0.35) | ADORA1ADORA2ADHODHHPGDSENPP3 | |
| SCHEMBL21125944 | 0.97 | HSD17B1 (0.36) | ADORA1ADORA2AENPP3ENPP1TGFBR1 | |
| SCHEMBL18015598 | 0.93 | ADORA1 (0.33) | ADORA1ADORA2ADHODHENPP3ENPP1 | |
| SCHEMBL19794462 | 0.93 | ENPP3 (0.34) | ADORA1ADORA2ADHODHENPP3TGFBR1 | |
| SCHEMBL22059833 | 0.91 | TGFBR1 (0.35) | ENPP3ENPP1TGFBR1 | |
| SCHEMBL19933714 | 0.91 | TGFBR1 (0.33) | ADORA1DHODHENPP3ENPP1TGFBR1 | |
| SCHEMBL21397869 | 0.90 | CDK1 (0.32) | ADORA1ADORA2AHPGDSTGFBR1CDK1 | |
| SCHEMBL15673151 | 0.90 | ADORA1 (0.34) | ADORA1ADORA2ADHODHENPP3ENPP1 | |
| SCHEMBL21290220 | 0.90 | PDCD1 (0.35) | ADORA1ADORA2A | |
| SCHEMBL21662052 | 0.88 | CAMKK2 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11024815-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2021-06-01 | — | — | US | disclosed |
| EP-3254317-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-07-31 | — | — | EP | disclosed |
| US-20180026209-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | US | disclosed |
| US-20180026209-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | US | disclosed |
| WO-2016124304-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-08-11 | — | — | 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 (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-11024815-B2 | Metal complexes | EXOC4, EXOC3, TIMCC | ADORA1 933/4885ADORA2A 722/4885DHODH 3418/4885 |
| US-20180026209-A1 | Metal Complexes | AP3M1, AP2M1, SOD1 | ADORA1 4700/4885ADORA2A 4686/4885DHODH 4176/4885 |
“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.