Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.48 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.48 |
| ▸ | AGTR2 | P50052 | 9/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK1 | P23458 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 2/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7285245 | 1.00 | NR1H2 (0.48) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL13687997 | 1.00 | NR1H2 (0.48) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL21409001 | 1.00 | NR1H2 (0.48) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL9542940 | 1.00 | NR1H2 (0.48) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL1373084 | 1.00 | NR1H2 (0.48) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL6183345 | 1.00 | NR1H2 (0.48) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL30882690 | 0.95 | NR1H2 (0.45) | NR1H2NR1H3AGTR2ACEJAK2 | |
| SCHEMBL1371521 | 0.90 | CYP2C19 (0.44) | NR1H2NR1H3ACEMCL1 | |
| SCHEMBL27190612 | 0.90 | CYP2C19 (0.44) | NR1H2NR1H3ACEMCL1 | |
| SCHEMBL2171522 | 0.90 | CYP2C19 (0.44) | NR1H2NR1H3ACEMCL1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499148-B1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2017-01-18 | — | — | EP | disclosed |
| US-9512139-B2 | Conformationally constrained, fully synthetic macrocyclic compounds | POLYPHOR AG (CH) | 2016-12-06 | — | — | US | disclosed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20050256166-A1 | Nitrogen-containing compounds | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-11-17 | — | — | US | disclosed |
| EP-1535906-A1 | NITROGEN-CONTAINING COMPOUNDS | ONO PHARMACEUTICAL CO., LTD. (JP) | 2005-06-01 | — | — | EP | disclosed |
| EP-0053902-B1 | PHOSPHINYLALKANOYL SUBSTITUTED PROLINES | E.R. Squibb & Sons, Inc. (US) | 1985-04-03 | — | — | EP | disclosed |
| US-4384123-A | Phosphinylalkanoyl substituted prolines | E. R. SQUIBB & SONS, INC. (US) | 1983-05-17 | — | — | US | disclosed |
| US-4337201-A | Phosphinylalkanoyl substituted prolines | E. R. SQUIBB & SONS, INC. (US) | 1982-06-29 | — | — | US | disclosed |
| EP-0053902-A1 | Phosphinylalkanoyl substituted prolines | E.R. Squibb & Sons, Inc. (US) | 1982-06-16 | — | — | EP | 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-20050256166-A1 | Nitrogen-containing compounds | DPP4, DPP3, DPP8 | NR1H2 3917/4885NR1H3 4287/4885AGTR2 627/4885 |
| US-20120270881-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | KCNB1, KCNAB1, KCNMB1 | NR1H2 2173/4885NR1H3 2956/4885AGTR2 1490/4885 |
“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.