Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | MYC | P01106 | 1/20 | 0.38 |
| ▸ | RXRA | P19793 | 1/20 | 0.36 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | PRKCB | P05771 | 1/20 | 0.36 |
| ▸ | PRKCH | P24723 | 1/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | PRKACA | P17612 | 1/20 | 0.35 |
| ▸ | PRKACG | P22612 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4638426 | 0.84 | CACNA1H (0.40) | ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL4638472 | 0.83 | NR3C2 (0.45) | ALDH1A1MCL1CNR2MYCMAPT | |
| SCHEMBL4639070 | 0.83 | PLK1 (0.42) | ALDH1A1MCL1CNR2MYCSMN1; SMN2 | |
| SCHEMBL1381640 | 0.79 | NR3C2 (0.61) | ALDH1A1KDM4E | |
| SCHEMBL4639749 | 0.78 | CNR2 (0.46) | ALDH1A1MCL1CNR2KDM4EPOLB | |
| SCHEMBL4638449 | 0.77 | CNR2 (0.47) | ALDH1A1CNR2KDM4EMAPTMEN1 | |
| SCHEMBL4892927 | 0.77 | MYC (0.49) | ALDH1A1MCL1MYCKDM4EPOLB | |
| SCHEMBL4638261 | 0.76 | CNR1 (0.49) | ALDH1A1CNR2MAPTMEN1KMT2A | |
| SCHEMBL4638745 | 0.72 | KDM4E (0.58) | ALDH1A1MCL1KDM4EMAPTMEN1 | |
| SCHEMBL4638404 | 0.72 | SCN1A (0.45) | ALDH1A1CNR2KDM4EPOLBMAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | claimed |
| US-8367667-B2 | Pyrrole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2013-02-05 | — | — | US | claimed |
| US-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | claimed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | claimed |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | claimed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | claimed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | WO | claimed |
| EP-1773768-B1 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2018-08-22 | — | — | EP | disclosed |
| US-8367667-B2 | Pyrrole derivatives as pharmaceutical agents | EXELIXIS, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2011-12-08 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | disclosed |
| EP-1773768-A4 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS INC (US) | 2008-08-06 | — | — | EP | disclosed |
| EP-1773768-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006012642-A2 | PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2006-02-02 | — | — | 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-20110301128-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | ALDH1A1 2251/4885MCL1 4607/4885CNR2 13/4885 |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | ALDH1A1 2251/4885MCL1 4607/4885CNR2 13/4885 |
“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.