Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROS1 | P08922 | 3/20 | 0.51 |
| ▸ | CNR1 | P21554 | 11/20 | 0.47 |
| ▸ | CNR2 | P34972 | 9/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL4809995 | 0.87 | CNR1 (0.60) | CNR1CNR2LMNACYP1A2CYP3A4 | |
| SCHEMBL4808344 | 0.86 | CNR1 (0.47) | ROS1CNR1CNR2CYP3A4MEN1 | |
| SCHEMBL4800615 | 0.83 | CNR1 (0.50) | ROS1CNR1CNR2 | |
| SCHEMBL4811218 | 0.83 | CNR1 (0.63) | CNR1CNR2LMNACYP1A2CYP3A4 | |
| SCHEMBL4803279 | 0.81 | CNR1 (0.61) | CNR1CNR2CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4810474 | 0.81 | CNR1 (0.61) | CNR1CNR2MEN1KMT2A | |
| SCHEMBL4810614 | 0.81 | CNR1 (0.42) | ROS1CNR1CNR2LMNACYP1A2 | |
| SCHEMBL4810095 | 0.80 | CNR1 (0.62) | CNR1CNR2MEN1KMT2A | |
| SCHEMBL5355801 | 0.78 | CNR1 (0.77) | CNR1CNR2 | |
| SCHEMBL4807346 | 0.78 | CNR1 (0.44) | ROS1CNR1CNR2LMNACYP1A2 |
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-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | claimed |
| US-20050245554-A1 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | claimed |
| EP-1546115-A2 | SUBSTITUTED PYRIMIDINES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | claimed |
| WO-2004029204-A2 | SUBSTITUTED PYRIMIDINES | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | claimed |
| US-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-20050245554-A1 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | disclosed |
| EP-1546115-A2 | SUBSTITUTED PYRIMIDINES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004029204-A2 | SUBSTITUTED PYRIMIDINES | MERCK & CO., INC. (US) | 2004-04-08 | — | — | 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 (1 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-20050245554-A1 | Substituted pyrimidines | CNR1, CNR2, GPR119 | ROS1 3710/4885CNR1 1/4885CNR2 2/4885 |
“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.