Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9073584 | 0.79 | TSHR (0.61) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL10546405 | 0.77 | TSHR (0.46) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL2743453 | 0.77 | TSHR (0.58) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL19842070 | 0.77 | MAPK1 (0.50) | TSHRMAPK1ALDH1A1TAAR1ALOX15 | |
| SCHEMBL42357 | 0.77 | TSHR (0.58) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL686644 | 0.77 | TSHR (0.58) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL1921744 | 0.77 | KCNN4 (0.50) | TSHRMAPK1ALDH1A1TAAR1ALOX15 | |
| SCHEMBL3147757 | 0.77 | TSHR (0.58) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 | |
| SCHEMBL457997 | 0.77 | MAPK1 (0.50) | TSHRMAPK1ALDH1A1TAAR1ALOX15 | |
| Hydrogen Peroxide SCHEMBL9456436 | 0.74 | TSHR (0.55) | TSHRMAPK1ALDH1A1CYP1A2TAAR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2448939-A1 | NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF | SANOFI (FR) | 2012-05-09 | — | — | EP | disclosed |
| EP-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2011001112-A1 | NOVEL 2,3-DIHYDRO-1H-IMIDAZO(1,2-A)PYRIMIDIN-5-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-06 | — | — | WO | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |
| EP-2019818-A2 | PROCESS FOR THE PRODUCTION OF COMPOUNDS VIA HAZARDOUS INTERMEDIATES IN A SERIES OF MICROREACTORS | DSMIP Assets B.V. (NL) | 2009-02-04 | — | — | EP | disclosed |
| WO-2007134847-A2 | PROCESS FOR THE PRODUCTION OF COMPOUNDS VIA HAZARDOUS INTERMEDIATES IN A SERIES OF MICROREACTORS | DSM IP ASSETS B.V. (NL) | 2007-11-29 | — | — | WO | disclosed |