Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 6/20 | 0.80 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 4/20 | 0.47 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.43 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2257588 | 0.99 | NOTUM (0.78) | NOTUMROCK2ROCK1KDM4EALDH1A1 | |
| SCHEMBL30232786 | 0.90 | NOTUM (0.63) | NOTUMROCK2ROCK1AKT1P2RY1 | |
| SCHEMBL1572534 | 0.90 | NOTUM (0.63) | NOTUMROCK2ROCK1AKT1P2RY1 | |
| SCHEMBL17446885 | 0.89 | NOTUM (1.00) | NOTUMKDM4EALDH1A1AMPD2GAA | |
| SCHEMBL1713623 | 0.87 | NOTUM (0.60) | NOTUMROCK2ROCK1KDM4EALDH1A1 | |
| SCHEMBL17446887 | 0.86 | NOTUM (1.00) | NOTUMKDM4EALDH1A1AMPD2GAA | |
| SCHEMBL14529913 | 0.85 | NOTUM (0.57) | NOTUMROCK2ROCK1AKT1P2RY1 | |
| SCHEMBL1713780 | 0.85 | NOTUM (0.57) | NOTUMROCK2ROCK1AKT1P2RY1 | |
| SCHEMBL6544407 | 0.85 | NOTUM (0.57) | NOTUMROCK2ROCK1AKT1P2RY1 | |
| SCHEMBL6543320 | 0.85 | NOTUM (0.57) | NOTUMROCK2ROCK1AKT1P2RY1 |
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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2150534-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. Lundbeck A/S (DK) | 2010-02-10 | — | — | EP | claimed |
| WO-2008131779-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2008-11-06 | — | — | WO | claimed |
| US-20040220223-A1 | Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them | SANOFI-AVENTIS (FR) | 2004-11-04 | — | — | US | claimed |
| US-20020049329-A1 | Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them | SANOFI-AVENTIS (FR) | 2002-04-25 | — | — | US | claimed |
| US-6291672-B1 | FOR THE PREPARATION OF DRUGS USEFUL IN THERAPY OF PSYCHIATRIC DISEASES, DISEASES OF PSYCHOSOMATIC ORIGIN, HYPERTENSION | SANOFI-SYNTHELABO (FR) | 2001-09-18 | — | — | US | claimed |
| EP-2023924-B1 | ARYL-FUSED SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2016-08-03 | — | — | EP | disclosed |
| EP-2023924-B1 | ARYL-FUSED SPIROCYCLIC COMPOUNDS | MERCK SHARP & DOHME (US) | 2016-08-03 | — | — | EP | disclosed |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2014-09-18 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8778957-B2 | CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2014-07-15 | — | — | US | disclosed |
| US-8119652-B2 | Aryl-fused spirocyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2012-02-21 | — | — | US | disclosed |
| EP-1019373-A1 | NOVEL HUMAN NK 3? RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANOFI-SYNTHELABO (FR) | 2000-07-19 | — | — | EP | disclosed |
| US-6028082-A | FOR TRATING PSYCHOLOGICAL DISORDERS | SANOFI-SYNTHELABO (FR) | 2000-02-22 | — | — | US | disclosed |
| US-6013652-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES | MERCK & CO., INC. (US) | 2000-01-11 | — | — | US | disclosed |
| US-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| WO-1997010211-A1 | NOVEL HUMAN NK3 RECEPTOR-SELECTIVE ANTAGONIST COMPOUNDS, METHOD FOR OBTAINING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SANOFI (FR) | 1997-03-20 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | 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 (3 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-20040220223-A1 | Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them | TACR2, BDKRB2, ACKR3 | NOTUM 4655/4885ROCK2 3416/4885ROCK1 3679/4885 |
| US-20140275017-A1 | CGRP RECEPTOR ANTAGONISTS | BDKRB1, CALCRL, BDKRB2 | NOTUM 3741/4885ROCK2 4093/4885ROCK1 3677/4885 |
| US-20020049329-A1 | Novel human NK3 receptor-selective antagonist compounds, method for obtaining them and pharmaceutical compositions containing them | TACR2, BDKRB2, ACKR3 | NOTUM 4655/4885ROCK2 3416/4885ROCK1 3679/4885 |
“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.