Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | LPL | P06858 | 2/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.39 |
| ▸ | DRD1 | P21728 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD5 | P21918 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21292119 | 0.87 | LPL (0.49) | LPLLIPG | |
| SCHEMBL14402554 | 0.85 | LPL (0.56) | LPLLIPG | |
| SCHEMBL380954 | 0.83 | CNR1 (0.50) | CNR1CNR2KIF11GRIN2DGRIN3B | |
| SCHEMBL8046780 | 0.81 | — | — | |
| SCHEMBL14229868 | 0.77 | TDP1 (0.52) | DRD2DRD1TAAR1 | |
| SCHEMBL27905938 | 0.77 | TDP1 (0.52) | DRD2DRD3DRD1DRD4DRD5 | |
| SCHEMBL429765 | 0.77 | TAAR1 (0.63) | SIGMAR1DRD2TAAR1 | |
| SCHEMBL12814343 | 0.77 | CYP1A2 (0.40) | — | |
| SCHEMBL26054333 | 0.77 | OPRM1 (0.44) | SIGMAR1TAAR1OPRM1OPRD1OPRK1 | |
| SCHEMBL589019 | 0.76 | TP53 (0.48) | CNR1CNR2KIF11GRIN2DGRIN3B |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |
| EP-2801570-A1 | Inhibitors of beta-secretase | Vitae Pharmaceuticals, Inc. (US) | 2014-11-12 | — | — | EP | disclosed |
| WO-2012100073-A1 | SELECTIVE CALCIUM CHANNEL ANTAGONISTS | NORTHWESTERN UNIVERSITY (US) | 2012-07-26 | — | — | WO | disclosed |
| WO-2008077646-A1 | NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2008-07-03 | — | — | WO | disclosed |