Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | SCD | O00767 | 2/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.34 |
| ▸ | CHKA | P35790 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CCND1 | P24385 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL12490959 | 0.80 | HTR2A (0.41) | HTR2CHTR2AHTR2BSCDSLC22A12 | |
| SCHEMBL18361489 | 0.76 | HTR2C (0.39) | HTR2CHTR2AHTR2BSCDSLC22A12 | |
| SCHEMBL23633824 | 0.76 | HTR2A (0.39) | HTR2CHTR2AHTR2BSCDSLC22A12 | |
| SCHEMBL20473797 | 0.76 | NOTUM (0.45) | HTR2CSLC22A12DRD2DRD4NOTUM | |
| SCHEMBL18355814 | 0.76 | HTR2C (0.39) | HTR2CHTR2AHTR2BSCDSLC22A12 | |
| SCHEMBL553710 | 0.74 | ALDH1A1 (0.43) | HTR2CHTR2AHTR2BSCDCHKA | |
| SCHEMBL18355268 | 0.73 | HTR2C (0.36) | HTR2CHTR2AHTR2BSCDSLC22A12 | |
| SCHEMBL17275624 | 0.72 | TRPV1 (0.41) | HTR2CNOTUMALDH1A1USP2 | |
| SCHEMBL12683270 | 0.72 | DRD2 (0.50) | DRD2DRD4CHKA | |
| SCHEMBL17276390 | 0.69 | ACHE (0.46) | GRIN2BALOX5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015140133-A1 | PIPERIDINE-DIONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-24 | — | — | WO | disclosed |
| WO-2015142903-A2 | METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| US-8987442-B2 | Deuterium-substituted xanthine derivatives and methods of use | CONCERT PHARMACEUTICALS, INC. (US) | 2015-03-24 | — | — | US | disclosed |