Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL691762 | 0.78 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL3996056 | 0.76 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL9003499 | 0.76 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| Ammonia Solution, Strong SCHEMBL11201030 | 0.76 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL7674344 | 0.76 | CYP2C19 (0.55) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL5732595 | 0.73 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL19285046 | 0.73 | TAAR1 (0.52) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL5733567 | 0.73 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL96509 | 0.73 | CYP2C19 (0.57) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT | |
| SCHEMBL1121969 | 0.73 | CYP2C19 (0.52) | CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2322222-A1 | THERAPEUTIC AGENT FOR IRRITABLE BOWEL SYNDROME | Takeda Pharmaceutical Company Limited (JP) | 2011-05-18 | — | — | EP | disclosed |
| WO-2006058299-A2 | MANUFACTURE OF LIMONOID COMPOUNDS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 2006-06-01 | — | — | WO | disclosed |
| US-20060116509-A1 | Manufacture of limonoid compounds | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 2006-06-01 | — | — | US | disclosed |
| EP-1551830-A2 | HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004026829-A2 | HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-04-01 | — | — | WO | disclosed |
| EP-0415634-A2 | Benzazabicyclic carbamates as cholinesterase inhibitors | PFIZER INC. (US) | 1991-03-06 | — | — | EP | disclosed |
| US-4082679-A | LIGHT STABILIZED TEXTILE MINERAL OIL | WITCO CHEMICAL CORPORATION (US) | 1978-04-04 | — | — | US | disclosed |