Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 8/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 SCHEMBL4864461 | 0.98 | PDGFRB (0.45) | PDGFRBPDGFRAGRM5APPKCNH2 | |
| SCHEMBL6429786 | 0.75 | GRM5 (0.62) | GRM5APPNPC1RAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL7385715 | 0.73 | GRM5 (0.61) | GRM5APPNPC1RAB9AALDH1A1 | |
| SCHEMBL29063738 | 0.71 | LMNA (0.39) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL596744 | 0.71 | APP (0.50) | GRM5APPNPC1RAB9AALDH1A1 | |
| SCHEMBL6821195 | 0.70 | GRM5 (0.56) | PDGFRBPDGFRAGRM5APPEGFR | |
| SCHEMBL6133921 | 0.70 | GRM5 (0.57) | PDGFRBPDGFRAGRM5APPKCNH2 | |
| SCHEMBL9902818 | 0.69 | PDGFRB (0.56) | PDGFRBPDGFRAGRM5KCNH2NPC1 | |
| SCHEMBL14975833 | 0.69 | EGFR (0.43) | PDGFRBPDGFRAGRM5APPKCNH2 | |
| SCHEMBL10277252 | 0.68 | APP (0.52) | GRM5APPNPC1RAB9AALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7462619-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-12-09 | — | — | US | disclosed |
| US-7365074-B2 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK & CO., INC. (US) | 2008-04-29 | — | — | US | disclosed |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | disclosed |
| US-20050085523-A1 | Imidazolyl and pyrazolyl ethyne compounds | COSFORD NICHOLAS D (US) | 2005-04-21 | — | — | US | disclosed |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-02-24 | — | — | US | disclosed |
| US-6774138-B2 | TO FUNCTION AS AGONISTS OR ANTAGONISTS OF RECEPTORS FOR NEUROTRANSMITTERS, NEUROHORMONES AND NEUROMODULATORS, AS INSECTICIDES AND FINGICIDES | MERCK & CO., INC. | 2004-08-10 | — | — | US | disclosed |
| US-20030055247-A1 | Thiazolyl(pyridyl)ethyne compounds | MERCK SHARP & DOHME CORP. | 2003-03-20 | — | — | US | disclosed |
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | 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 (4 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-20030055247-A1 | Thiazolyl(pyridyl)ethyne compounds | CBR3, CBR1, CHRM3 | PDGFRB 1048/4885PDGFRA 1194/4885GRM5 54/4885 |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | CBR3, P2RX5, CBR1 | PDGFRB 707/4885PDGFRA 877/4885GRM5 45/4885 |
| US-20050085523-A1 | Imidazolyl and pyrazolyl ethyne compounds | CBR3, CBR1, CHRM3 | PDGFRB 1538/4885PDGFRA 1466/4885GRM5 67/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | PDGFRB 488/4885PDGFRA 760/4885GRM5 52/4885 |
“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.