Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | RGS12 | O14924 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17181764 | 0.98 | BLM (0.35) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL14944031 | 0.78 | TSHR (0.43) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL17697699 | 0.76 | TSHR (0.34) | TSHRGABRR1BLMRGS12CYP3A4 | |
| SCHEMBL1870613 | 0.76 | — | — | |
| SCHEMBL238010 | 0.74 | — | — | |
| SCHEMBL2519380 | 0.73 | — | — | |
| SCHEMBL17315821 | 0.73 | — | — | |
| SCHEMBL518682 | 0.72 | — | — | |
| SCHEMBL18686660 | 0.72 | — | — | |
| SCHEMBL1799515 | 0.71 | — | — |
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-3717467-A1 | BENZENE FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Taiwanj Pharmaceuticals Co., Ltd. (TW) | 2020-10-07 | — | — | EP | disclosed |
| EP-3634953-A1 | COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC Therapeutics, Inc. (US) | 2020-04-15 | — | — | EP | disclosed |
| WO-2018226622-A1 | COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE | PTC THERAPEUTICS, INC. (US) | 2018-12-13 | — | — | WO | disclosed |
| EP-3405196-A1 | NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS | Janssen Pharmaceutica NV (BE) | 2018-11-28 | — | — | EP | disclosed |
| WO-2017125530-A1 | NEW SUBSTITUTED CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-07-27 | — | — | WO | disclosed |
| EP-3060550-A2 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2016-08-31 | — | — | EP | disclosed |
| WO-2015061247-A2 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2015-04-30 | — | — | WO | disclosed |
| EP-2691384-A1 | (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES | MEI Pharma, Inc. (US) | 2014-02-05 | — | — | EP | disclosed |
| EP-2638040-A1 | RADIOLABELLED mGLuR2 PET LIGANDS | Janssen Pharmaceuticals, Inc. (US) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012135160-A1 | (ALPHA- SUBSTITUTED ARALKYLAMINO AND HETEROARYLALKYLAMINO) PYRIMIDINYL AND 1,3,5 -TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THESE COMPOUNDS FOR USE IN TREATING PROLIFERATIVE DISEASES | PATHWAY THERAPEUTICS INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2012062752-A1 | RADIOLABELLED mGLuR2 PET LIGANDS | Janssen Pharmaceuticals, Inc. (US) | 2012-05-18 | — | — | WO | disclosed |