Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.52 |
| ▸ | MIF | P14174 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345148 | 1.00 | CYP1A1 (0.55) | CYP1A1CYP1B1NFE2L2MIFPTGS1 | |
| SCHEMBL6793792 | 0.87 | NFE2L2 (0.53) | CYP1A1CYP1B1NFE2L2PTGS1KDM4E | |
| SCHEMBL6793789 | 0.87 | NFE2L2 (0.53) | CYP1A1CYP1B1NFE2L2PTGS1KDM4E | |
| SCHEMBL30022725 | 0.87 | NFE2L2 (0.53) | CYP1A1CYP1B1NFE2L2PTGS1KDM4E | |
| SCHEMBL3573370 | 0.85 | CYP1A1 (0.58) | CYP1A1CYP1B1NFE2L2MIFPTGS1 | |
| SCHEMBL3573369 | 0.85 | CYP1A1 (0.58) | CYP1A1CYP1B1NFE2L2MIFPTGS1 | |
| SCHEMBL14926713 | 0.84 | NFE2L2 (0.49) | CYP1A1CYP1B1NFE2L2MIFPTGS1 | |
| SCHEMBL1404850 | 0.84 | LMNA (0.58) | MIFPTGS1KDM4EMAPTLMNA | |
| SCHEMBL29728702 | 0.84 | LMNA (0.58) | MIFPTGS1KDM4EMAPTLMNA | |
| SCHEMBL1404851 | 0.84 | LMNA (0.58) | MIFPTGS1KDM4EMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-8674115-B2 | CRTH2 modulators | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-03-18 | — | — | US | disclosed |
| EP-2516416-A1 | CRTH2 MODULATORS | Ironwood Pharmaceuticals, Inc. (US) | 2012-10-31 | — | — | EP | disclosed |
| US-8063075-B2 | Pyrrolidine ether derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-11-22 | — | — | US | disclosed |
| EP-2294063-B1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-11-02 | — | — | EP | disclosed |
| US-8012998-B2 | Pyrrolidine aryl-ether as NK-3 receptor antagonists | Hoffmann—La Roche Inc. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2185540-B1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-07-20 | — | — | EP | disclosed |
| WO-2011079007-A1 | CRTH2 MODULATORS | IRONWOOD PHARMACEUTICALS, INC. (US) | 2011-06-30 | — | — | WO | disclosed |
| US-20110150834-A1 | CRTH2 MODULATORS | WELLS FARGO BANK, NATIONAL ASSOCIATION | 2011-06-23 | — | — | US | disclosed |
| EP-2294063-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-16 | — | — | EP | disclosed |
| EP-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009150110-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-12-17 | — | — | WO | disclosed |
| US-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-12-10 | — | — | US | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |
| US-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | 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 (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-20090306043-A1 | PYRROLIDINE ETHER DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | OPRK1, OPRL1, OPRD1 | CYP1A1 798/4885CYP1B1 1131/4885NFE2L2 2083/4885 |
| US-20110150834-A1 | CRTH2 MODULATORS | HRH2, HRH1, NR1H2 | CYP1A1 2172/4885CYP1B1 1528/4885NFE2L2 126/4885 |
| US-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRK1, OPRD1 | CYP1A1 483/4885CYP1B1 516/4885NFE2L2 1122/4885 |
“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.