Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MME | P08473 | 2/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CPA1 | P15085 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | PAM | P19021 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24084101 | 0.85 | TRPA1 (0.49) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL16252309 | 0.83 | LMNA (0.53) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL13233695 | 0.83 | LMNA (0.53) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL19088387 | 0.83 | MMP8 (0.55) | — | |
| SCHEMBL20427447 | 0.82 | MMP2 (0.52) | — | |
| SCHEMBL19088391 | 0.80 | POLB (0.48) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL14027140 | 0.79 | SIGMAR1 (0.55) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL19088526 | 0.79 | TSHR (0.48) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL17793545 | 0.79 | ALDH1A1 (0.51) | HDAC3HDAC4HDAC1HDAC2HDAC8 | |
| SCHEMBL8175870 | 0.79 | TAAR1 (0.52) | ALDH1A1MMECTSSCTSKPAM |
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 1 patent. 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 |