Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.42 |
| ▸ | PHGDH | O43175 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1379079 | 0.87 | SMO (0.48) | SMOSLC6A7PHGDHCHRM4DRD2 | |
| SCHEMBL1381981 | 0.86 | SMO (0.48) | SMOSLC6A7PHGDHCHRM4DRD2 | |
| SCHEMBL1383039 | 0.85 | CHEK2 (0.46) | SLC6A7MGLLMEN1LMNAMAPK1 | |
| SCHEMBL6501734 | 0.84 | MGLL (0.45) | MGLLMEN1LMNAMAPK1HTT | |
| SCHEMBL1384319 | 0.83 | TAAR1 (0.55) | SMOSLC6A7PHGDHCHRM4DRD2 | |
| SCHEMBL6496505 | 0.80 | SMO (0.49) | SMOSLC6A7CHRM4DRD2DRD3 | |
| SCHEMBL1384991 | 0.76 | PHGDH (0.46) | SMOSLC6A7PHGDHCHRM4DRD2 | |
| SCHEMBL5760301 | 0.75 | SMO (0.48) | SMOSLC6A7CHRM4DRD2DRD3 | |
| SCHEMBL1381842 | 0.74 | SMO (0.48) | SMOSLC6A7PHGDHCHRM4DRD2 | |
| SCHEMBL1382820 | 0.74 | SMO (0.49) | SMOSLC6A7CHRM4DRD2DRD3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4805813-B2 | — | — | 2011-11-02 | — | — | JP | claimed |
| EP-1641765-A1 | ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF | Aventis Pharma S.A. (FR) | 2006-04-05 | — | — | EP | claimed |
| US-20050014765-A1 | Aryl-heteroaromatic products, compositions comprising them and use | AVENTIS PHARMA S.A. (FR) | 2005-01-20 | — | — | US | claimed |
| WO-2004108685-A1 | ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF | AVENTIS PHARMA S.A. (FR) | 2004-12-16 | — | — | WO | claimed |
| EP-1185529-B1 | PYRAZOLOBENZODIAZEPINES AS CDK2 INHIBITORS | HOFFMANN LA ROCHE (CH) | 2004-10-13 | — | — | EP | claimed |
| US-6440959-B1 | INHIBITORS OF CYCLIN-DEPENDENT KINASES | HOFFMAN-LA ROCHE INC. | 2002-08-27 | — | — | US | claimed |
| EP-1641765-A1 | ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF | Aventis Pharma S.A. (FR) | 2006-04-05 | — | — | EP | disclosed |
| US-6916923-B2 | Method for synthesizing pyrazolobenzodiazepines | HOFFMANN-LA ROCHE INC. (US) | 2005-07-12 | — | — | US | disclosed |
| US-20050014765-A1 | Aryl-heteroaromatic products, compositions comprising them and use | AVENTIS PHARMA S.A. (FR) | 2005-01-20 | — | — | US | disclosed |
| WO-2004108685-A1 | ARYL-HETEROAROMATIC PRODUCTS, COMPOSITIONS CONTAINING SAME AND USE THEREOF | AVENTIS PHARMA S.A. (FR) | 2004-12-16 | — | — | WO | disclosed |
| US-20040198976-A1 | Method for synthesizing pyrazolobenzodiazepines | DING QINGJIE (US) | 2004-10-07 | — | — | 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-20040198976-A1 | Method for synthesizing pyrazolobenzodiazepines | GABBR1, GABBR2, CYP2F1 | SMO 2641/4885PPARG 1873/4885RXFP1 2487/4885 |
| US-20050014765-A1 | Aryl-heteroaromatic products, compositions comprising them and use | AHR, ARNT, MYC | SMO 2088/4885PPARG 331/4885RXFP1 4841/4885 |
“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.