Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | GBA1 | P04062 | 3/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11956610 | 1.00 | IDO1 (0.35) | IDO1TDO2GBA1CES2CES1 | |
| Hydrochloric Acid SCHEMBL3720491 | 0.98 | IDO1 (0.38) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL19053809 | 0.85 | GBA1 (0.35) | GBA1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL22694855 | 0.83 | HRH1 (0.34) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL1727640 | 0.78 | SLC6A4 (0.42) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL12261531 | 0.78 | SLC6A4 (0.42) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL1274115 | 0.78 | CES2 (0.38) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL1727838 | 0.78 | SLC6A4 (0.42) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL6684774 | 0.78 | CES2 (0.38) | IDO1TDO2GBA1CES2CES1 | |
| SCHEMBL8244458 | 0.78 | IDO1 (0.46) | IDO1TDO2GBA1CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2438067-B1 | SPIROLACTAMS AS CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-08-26 | — | — | EP | disclosed |
| EP-2438067-B1 | SPIROLACTAMS AS CGRP-ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2015-08-26 | — | — | EP | disclosed |
| US-8765763-B2 | Substituted piperazines as CGRP antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8765763-B2 | Substituted piperazines as CGRP antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-8765763-B2 | Substituted piperazines as CGRP antagonists | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-07-01 | — | — | US | disclosed |
| US-20120196872-A1 | NEW 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | US | disclosed |
| US-20120196872-A1 | NEW 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | US | disclosed |
| US-20120196872-A1 | NEW 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-02 | — | — | US | disclosed |
| WO-2010139717-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010139717-A1 | NEW COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |
| US-4129661-A | 4,5-Dihydro-2-lower alkoxycarbonylamino-4-phenylimidazoles and substituted phenyl derivatives thereof | SYNTEX (U.S.A.) INC. (US) | 1978-12-12 | — | — | 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 (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-20120196872-A1 | NEW 5-ALKYNYL-PYRIDINES | CALCR, CALCRL, P2RX5 | IDO1 2037/4885TDO2 2708/4885GBA1 1876/4885 |
“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.