Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 7/20 | 0.62 |
| ▸ | ACE | P12821 | 5/20 | 0.62 |
| ▸ | CPA1 | P15085 | 2/20 | 0.62 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.62 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | MMP8 | P22894 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | HTR2C | P28335 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | ALB | P02768 | 1/20 | 0.48 |
| ▸ | IL2 | P60568 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL13957286 | 1.00 | MME (0.62) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL28066552 | 0.90 | MME (0.53) | MMEACECPA1ACE2CA2 | |
| SCHEMBL16252303 | 0.88 | MME (0.52) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL14537029 | 0.88 | MME (0.52) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL14640236 | 0.87 | MME (0.65) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL8254158 | 0.87 | MME (0.58) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL24766201 | 0.87 | MME (0.65) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL16171805 | 0.87 | MME (0.51) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL21690504 | 0.87 | MME (0.51) | MMEACECPA1ACE2MMP9 | |
| SCHEMBL14511422 | 0.87 | MME (0.51) | MMEACECPA1ACE2MMP9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2861581-B9 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-08-30 | — | — | EP | disclosed |
| EP-2861581-B1 | 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. | BRISTOL MYERS SQUIBB CO (US) | 2017-02-01 | — | — | EP | disclosed |
| US-8889712-B2 | IAP antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-11-18 | — | — | US | disclosed |