Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | MME | P08473 | 5/20 | 0.41 |
| ▸ | ACE | P12821 | 5/20 | 0.41 |
| ▸ | CPA1 | P15085 | 2/20 | 0.41 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | FCER2 | P06734 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8918697 | 0.76 | TACR1 (0.46) | MMEACECPA1ACE2CYP1A2 | |
| SCHEMBL8918692 | 0.76 | TACR1 (0.46) | MMEACECPA1ACE2CYP1A2 | |
| SCHEMBL7291165 | 0.75 | HTR2A (0.39) | CYP1A2FCER2MMP9HDAC1HDAC8 | |
| SCHEMBL8919990 | 0.74 | HTR2A (0.46) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL8921872 | 0.72 | CTSG (0.52) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL8921880 | 0.72 | CTSG (0.52) | PIN1MMEACECPA1ACE2 | |
| SCHEMBL21628079 | 0.71 | MME (0.50) | MMECYP1A2 | |
| SCHEMBL8919979 | 0.71 | MME (0.47) | MMEACECPA1ACE2FCER2 | |
| SCHEMBL8919984 | 0.71 | MME (0.44) | MMEACECPA1ACE2FCER2 | |
| SCHEMBL10961713 | 0.70 | MMP9 (0.51) | MMEACECPA1ACE2CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652369-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |