Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL77380 | 0.83 | KDM4E (0.50) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL2173469 | 0.82 | MAPK8 (0.44) | PIK3CAMAOAMAOBALDH1A1HDAC1 | |
| SCHEMBL17606043 | 0.82 | PARP1 (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL29468719 | 0.81 | CA2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL19641588 | 0.81 | CA2 (0.47) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL21090110 | 0.79 | PIK3CA (0.58) | KDM4EPIK3CAALDH1A1TSHRIDO1 | |
| SCHEMBL12672485 | 0.78 | MMP13 (0.47) | PIK3CAALDH1A1HDAC1HDAC8 | |
| SCHEMBL31048328 | 0.77 | FAAH (0.43) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL137265 | 0.77 | ALDH1A1 (0.51) | CYP1A2CYP2D6CYP2C9CYP2C19NPSR1 | |
| SCHEMBL1150357 | 0.76 | MAPT (0.44) | PIK3CA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024178304-A1 | KRAS MODULATORS | ALTEROME THERAPEUTICS, INC. (US) | 2024-08-29 | — | — | WO | disclosed |
| CN-107954999-B | Oxadiazole ring-containing compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2023-01-24 | — | — | CN | disclosed |
| EP-1603901-B1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME (GB) | 2008-10-15 | — | — | EP | disclosed |
| US-7393858-B2 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2008-07-01 | — | — | US | disclosed |
| US-20060172999-A1 | Tetrahydropyran compounds as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2006-08-03 | — | — | US | disclosed |
| EP-1603901-A1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004078750-A1 | TETRAHYDROPYRAN COMPOUNDS AS TACHYKININ ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-16 | — | — | 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-20060172999-A1 | Tetrahydropyran compounds as tachykinin antagonists | NPSR1, NPY1R, OPRL1 | CYP1A2 2965/4885CYP2D6 1274/4885CYP2C9 788/4885 |
“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.