Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4860769 | 0.84 | GRM5 (0.48) | GRM5ACACBALDH1A1PDE10ANPC1 | |
| SCHEMBL15870993 | 0.76 | GRM5 (0.68) | GRM5ACACBALDH1A1PDE10ATSHR | |
| SCHEMBL5805253 | 0.73 | — | — | |
| SCHEMBL1159521 | 0.69 | GRM5 (0.50) | GRM5ACACBALDH1A1PDE10ATSHR | |
| SCHEMBL28714944 | 0.69 | GRM5 (0.46) | GRM5ACACBALDH1A1L3MBTL1PGK1 | |
| SCHEMBL16116343 | 0.69 | — | — | |
| SCHEMBL19778794 | 0.69 | — | — | |
| SCHEMBL28748970 | 0.69 | — | — | |
| SCHEMBL12394778 | 0.68 | GRM5 (0.48) | GRM5ACACBALDH1A1PDE10ATSHR | |
| SCHEMBL9906389 | 0.68 | — | — |
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 | GRM5 54/4885ACACB 2155/4885ALDH1A1 1217/4885 |
| US-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | CBR3, P2RX5, CBR1 | GRM5 45/4885ACACB 2668/4885ALDH1A1 1382/4885 |
| US-20050085523-A1 | Imidazolyl and pyrazolyl ethyne compounds | CBR3, CBR1, CHRM3 | GRM5 67/4885ACACB 2260/4885ALDH1A1 1335/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | GRM5 52/4885ACACB 2859/4885ALDH1A1 2167/4885 |
“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.