Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | CPN1 | P15169 | 1/20 | 0.49 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL6366259 | 0.84 | HDAC4 (0.49) | CPN1CPB2HDAC4HDAC7HDAC5 | |
| SCHEMBL6366254 | 0.84 | HDAC4 (0.49) | CPN1CPB2HDAC4HDAC7HDAC5 | |
| SCHEMBL6366263 | 0.84 | HDAC4 (0.49) | CPN1CPB2HDAC4HDAC7HDAC5 | |
| SCHEMBL27953660 | 0.83 | MEN1 (0.48) | CPN1CPB2HDAC4HDAC7HDAC5 | |
| SCHEMBL29421137 | 0.83 | AKR1C3 (0.51) | HDAC4HDAC7HDAC5CNR2CES2 | |
| SCHEMBL2016833 | 0.83 | AKR1C3 (0.51) | HDAC4HDAC7HDAC5CNR2CES2 | |
| SCHEMBL30371733 | 0.83 | CNR2 (0.50) | CPN1CPB2HDAC4HDAC7HDAC5 | |
| SCHEMBL28192561 | 0.81 | ROCK2 (0.48) | ROCK2HDAC4HDAC7HDAC5SLC6A2 | |
| SCHEMBL17825651 | 0.80 | ROCK2 (0.45) | ROCK2HDAC4HDAC7HDAC5SLC6A2 | |
| SCHEMBL6985765 | 0.79 | MEN1 (0.63) | ROCK2CPN1CPB2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10875883-B2 | Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2020-12-29 | — | — | US | disclosed |
| EP-3521274-A1 | METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2019-08-07 | — | — | EP | disclosed |
| US-20190233456-A1 | METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2019-08-01 | — | — | US | disclosed |
| EP-1077994-B1 | IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | SANOFI AVENTIS DEUTSCHLAND (DE) | 2010-01-20 | — | — | EP | disclosed |
| US-6667334-B1 | Inhibitors of adhesion and migration of leukocytes and/or antagonists of adhesion receptor VLA-4 belonging to integrins group | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2003-12-23 | — | — | US | disclosed |
| EP-1077994-A1 | IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | Aventis Pharma Deutschland GmbH (DE) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999060015-A1 | IMIDAZOLIDINE DERIVATIVES, THE PRODUCTION THEREOF, THEIR USE AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 1999-11-25 | — | — | 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-10875883-B2 | Method for synthesizing novel chiral ligand, metal chelate, a variety of non-natural amino acids, maraviroc and key intermediate thereof | PRMT3, GRIN3A, RAMP3 | ROCK2 1812/4885CPN1 690/4885CPB2 2852/4885 |
| US-20190233456-A1 | METHOD FOR SYNTHESIZING NOVEL CHIRAL LIGAND, METAL CHELATE, A VARIETY OF NON-NATURAL AMINO ACIDS, MARAVIROC AND KEY INTERMEDIATE THEREOF | PRMT3, GRIN3A, RAMP3 | ROCK2 1812/4885CPN1 690/4885CPB2 2852/4885 |
“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.