Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4865226 | 1.00 | CYP11B1 (0.54) | CYP11B1CYP11B2CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL4863380 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP2C9CYP2B6CYP2C19CYP3A4 | |
| SCHEMBL4862447 | 0.80 | CYP2A6 (0.46) | CYP2A6CYP2C9CYP2B6CYP2C19CYP3A4 | |
| SCHEMBL31673222 | 0.76 | GRM5 (0.64) | CYP2A6CYP2C9CYP2B6CYP2C19CYP3A4 | |
| SCHEMBL401836 | 0.76 | GRM5 (0.64) | CYP2A6CYP2C9CYP2B6CYP2C19CYP3A4 | |
| SCHEMBL4863970 | 0.76 | CYP2A6 (0.49) | CYP2A6CYP2C9CYP2B6CYP2C19CYP3A4 | |
| SCHEMBL3796332 | 0.74 | CYP2A6 (0.67) | CYP2A6CYP2C9CYP2B6CYP2C19CYP3A4 | |
| SCHEMBL31668803 | 0.72 | CYP11B2 (1.00) | CYP11B1CYP11B2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL5496395 | 0.72 | CYP11B2 (1.00) | CYP11B1CYP11B2CYP2A6CYP3A4CYP2D6 | |
| SCHEMBL9268248 | 0.72 | CYP11B2 (1.00) | CYP11B1CYP11B2CYP2A6CYP3A4CYP2D6 |
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 6 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-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-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-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | MERCK SHARP & DOHME CORP. | 2005-02-24 | — | — | US | 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-20050043307-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | CBR3, P2RX5, CBR1 | CYP11B1 263/4885CYP11B2 185/4885CYP2A6 144/4885 |
| US-20050245542-A1 | Pyridazine, pyrimidine and pyrazine ethyne compounds | P2RX5, P2RY12, P2RY4 | CYP11B1 404/4885CYP11B2 265/4885CYP2A6 169/4885 |
“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.