Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.46 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.42 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1381976 | 0.94 | NR1H2 (0.48) | TAAR1KCNK3KCNK9RAB9ANPC1 | |
| SCHEMBL1385013 | 0.90 | LRRK2 (0.49) | KCNK3KCNK9RAB9ANPC1PDK1 | |
| SCHEMBL1380773 | 0.90 | NR1H4 (0.49) | TAAR1KCNK3KCNK9MAPTRAB9A | |
| SCHEMBL1379728 | 0.90 | PDK1 (0.52) | TAAR1KCNK3KCNK9RAB9ANPC1 | |
| SCHEMBL1382629 | 0.89 | LRRK2 (0.47) | TAAR1KCNK3KCNK9RAB9ANPC1 | |
| SCHEMBL1384071 | 0.89 | MAPT (0.47) | TAAR1KCNK3KCNK9MAPTRAB9A | |
| SCHEMBL1381831 | 0.88 | PDK1 (0.46) | TAAR1KCNK3KCNK9MAPTRAB9A | |
| SCHEMBL1381319 | 0.88 | NPC1 (0.49) | KCNK3KCNK9MAPTRAB9ANPC1 | |
| SCHEMBL1380127 | 0.88 | KCNK3 (0.46) | TAAR1KCNK3KCNK9MAPTRAB9A | |
| SCHEMBL1385895 | 0.87 | KCNK3 (0.57) | TAAR1KCNK3KCNK9MAPTRAB9A |
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 19 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 |
| JP-4703649-B2 | — | — | 2011-06-15 | — | — | JP | 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 |
| EP-1844020-B1 | HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS | EXELIXIS INC (US) | 2017-09-06 | — | — | 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-8026237-B2 | For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide | EXELIXIS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026237-B2 | For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide | EXELIXIS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-8026237-B2 | For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide | EXELIXIS, INC. (US) | 2011-09-27 | — | — | US | disclosed |
| US-20110144128-A1 | Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands | EXELIXIS, INC. (US) | 2011-06-16 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | US | disclosed |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | EXELIXIS, INC. (US) | 2008-09-25 | — | — | 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 (3 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 | TAAR1 204/4885KCNK3 3073/4885KCNK9 3876/4885 |
| US-20080234270-A1 | Pyrrole Derivatives As Pharmaceutical Agents | PRLHR, PTGDR, TACR1 | TAAR1 204/4885KCNK3 3073/4885KCNK9 3876/4885 |
| US-20110144128-A1 | Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands | NCOA1, NCOA2, NCOA3 | TAAR1 632/4885KCNK3 3491/4885KCNK9 3695/4885 |
“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.