Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 4/20 | 0.50 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.50 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.50 |
| ▸ | RORC | P51449 | 3/20 | 0.48 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6514545 | 0.84 | CA2 (0.56) | ALDH1A1IDO1ATAD2CECR2RORC | |
| SCHEMBL2314592 | 0.83 | ALDH1A1 (0.69) | ALDH1A1IDO1CDK1CA1CA2 | |
| SCHEMBL2312129 | 0.83 | ALDH1A1 (0.69) | ALDH1A1IDO1ATAD2CECR2RORC | |
| SCHEMBL2318861 | 0.82 | ALDH1A1 (0.51) | ALDH1A1IDO1CDK1CA1CA2 | |
| SCHEMBL96080 | 0.80 | ATM (0.53) | ALDH1A1IDO1ATAD2CECR2ATM | |
| SCHEMBL15545274 | 0.78 | MEN1 (0.55) | ALDH1A1IDO1ATAD2CECR2RORC | |
| SCHEMBL27485354 | 0.75 | ALDH1A1 (0.56) | ALDH1A1IDO1ATAD2CECR2RORC | |
| SCHEMBL418863 | 0.75 | MAPT (0.50) | — | |
| SCHEMBL4548035 | 0.75 | EPHX1 (0.70) | IDO1RORCSMN1; SMN2CA2CA9 | |
| SCHEMBL10993966 | 0.74 | MEN1 (0.43) | ATMCA1CA2CA12CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642640-B2 | 1-phenylpyrrole derivatives | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| US-8642640-B2 | 1-phenylpyrrole derivatives | EXELIXIS, INC. (US) | 2014-02-04 | — | — | US | disclosed |
| EP-2349996-B1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS INC (US) | 2014-01-01 | — | — | EP | disclosed |
| EP-2349996-B1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS INC (US) | 2014-01-01 | — | — | EP | disclosed |
| US-20110263544-A1 | 1-Phenylpyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| US-20110263544-A1 | 1-Phenylpyrrole Derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2011-10-27 | — | — | US | disclosed |
| EP-2349996-A1 | 1-PHENYLPYRROLE COMPOUNDS | Exelixis, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010042626-A1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS, INC. (US) | 2010-04-15 | — | — | WO | disclosed |
| WO-2010042626-A1 | 1-PHENYLPYRROLE COMPOUNDS | EXELIXIS, INC. (US) | 2010-04-15 | — | — | 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-20110263544-A1 | 1-Phenylpyrrole Derivatives | REN, AGTR1, NR3C2 | ALDH1A1 252/4885IDO1 1121/4885ATAD2 4203/4885 |
“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.