Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TAS2R14 | Q9NYV8 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1758554 | 0.81 | MEN1 (0.48) | CES2TMPRSS4MEN1KMT2AMCL1 | |
| SCHEMBL1758607 | 0.80 | MCL1 (0.51) | MEN1KMT2AMCL1CYP1A2CYP2C19 | |
| SCHEMBL5468285 | 0.76 | DDB1 (0.48) | MEN1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL5476673 | 0.75 | AKR1B1 (0.53) | MEN1KMT2AALDH1A1CYP3A4TSHR | |
| SCHEMBL9285908 | 0.75 | CES2 (0.46) | CES2TMPRSS4MEN1KMT2ACYP1A2 | |
| SCHEMBL2096092 | 0.75 | POLB (0.53) | MEN1KMT2ACYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL4022589 | 0.74 | CES2 (0.46) | CES2TMPRSS4MEN1KMT2AMCL1 | |
| Hydrochloric Acid SCHEMBL20984701 | 0.73 | ALDH1A1 (0.57) | CES2TMPRSS4MEN1KMT2ACYP1A2 | |
| Bromide SCHEMBL20984123 | 0.73 | ALDH1A1 (0.52) | CES2TMPRSS4MEN1KMT2ACYP1A2 | |
| SCHEMBL5610355 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6369247-B1 | OXIDATION WITH HYDROPEROXIDE IN THE PRESENCE OF RUTHENIUM CATALYST | MERCK & CO., INC. | 2002-04-09 | — | — | US | claimed |
| EP-0759929-B1 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | MERCK & CO INC (US) | 2000-08-23 | — | — | EP | claimed |
| EP-0759929-A4 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | MERCK & CO INC (US) | 1998-09-30 | — | — | EP | claimed |
| EP-0759929-A1 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | Merck & Co., Inc. (a New Jersey corp.) (US) | 1997-03-05 | — | — | EP | claimed |
| WO-1995032215-A1 | OXIDATION OF STEROIDS HAVING ALLYLIC GROUPS | MERCK & CO., INC. (US) | 1995-11-30 | — | — | WO | claimed |
| US-7531658-B2 | Reacting 17-carboxylic acid-3-oxo-4-azasteroid with carbonyl- or sulfinyl-diimidazole and amidating the product with an amime in the presence of a heterocyclic hydroxyl activator; avoids the use of expensive and moisture sensitive organomagnesium halide; preparing Finasteride and Dutasteride | APOTEX PHARMACHEM INC. (CA) | 2009-05-12 | — | — | US | disclosed |
| WO-2008101308-A1 | PROCESS FOR THE PREPARATION OF 17-N-SUBSTITUTED-CARBAMOYL-4-AZA-ANDROST-1 -EN-3-ONES | APOTEX PHARMACHEM INC. (CA) | 2008-08-28 | — | — | WO | disclosed |
| US-20070276011-A1 | Plasminogen Activator Inhibitor-1 Inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) | 2007-11-29 | — | — | US | disclosed |
| US-20070173523-A1 | Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones | APOTEX PHARMACHEM INC. (CA) | 2007-07-26 | — | — | US | disclosed |
| EP-1666469-A1 | PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR | Institute of Medicinal Molecular Design, Inc. (JP) | 2006-06-07 | — | — | 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-20070173523-A1 | Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones | CYP17A1, CYP19A1, NR5A1 | CES2 1262/4885TMPRSS4 985/4885MEN1 949/4885 |
| US-20070276011-A1 | Plasminogen Activator Inhibitor-1 Inhibitor | SERPINE1, SERPINC1, SERPINB1 | CES2 4194/4885TMPRSS4 342/4885MEN1 2892/4885 |
“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.