Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.71 |
| ▸ | NPC1 | O15118 | 2/20 | 0.71 |
| ▸ | RAB9A | P51151 | 2/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | STS | P08842 | 1/20 | 0.59 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.58 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
| ▸ | MMP7 | P09237 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL21219796 | 0.93 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL21219740 | 0.88 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL3533651 | 0.85 | SMN1; SMN2 (0.77) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL2899016 | 0.83 | SMN1; SMN2 (0.74) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL2712060 | 0.83 | SMN1; SMN2 (0.77) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL21898011 | 0.82 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL11750711 | 0.81 | ENPP2 (0.78) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL15084666 | 0.81 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL485156 | 0.81 | SMN1; SMN2 (0.75) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 | |
| SCHEMBL10297355 | 0.81 | SMN1; SMN2 (0.67) | SMN1; SMN2NPC1RAB9AHTTCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109311880-B | Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections | 豪夫迈·罗氏有限公司 | 2021-09-03 | — | — | CN | disclosed |
| EP-3478680-B1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | HOFFMANN LA ROCHE (CH) | 2020-04-22 | — | — | EP | disclosed |
| EP-3478680-B1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | HOFFMANN LA ROCHE (CH) | 2020-04-22 | — | — | EP | disclosed |
| US-20190241559-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2019-08-08 | — | — | US | disclosed |
| US-20190241559-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2019-08-08 | — | — | US | disclosed |
| EP-1322596-B1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2007-08-15 | — | — | EP | disclosed |
| EP-1322596-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2003-07-02 | — | — | EP | disclosed |
| US-6479518-B2 | PSYCHOLOGICAL DISORDERS | MERCK & CO., INC. | 2002-11-12 | — | — | US | disclosed |
| US-20020042431-A1 | Zwitterionic tachykinin receptor antagonists | MERCK & CO., INC. | 2002-04-11 | — | — | US | disclosed |
| WO-2002024629-A1 | ZWITTERIONIC TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2002-03-28 | — | — | 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 (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-20020042431-A1 | Zwitterionic tachykinin receptor antagonists | NPY5R, NPY1R, NPY2R | SMN1; SMN2 4865/4885NPC1 3279/4885RAB9A 1128/4885 |
| US-20190241559-A1 | NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION | TYMP, RECQL, DPYD | SMN1; SMN2 4719/4885NPC1 2559/4885RAB9A 1203/4885 |
“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.