Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14612202 | 1.00 | SCN9A (0.47) | SCN9ASLC18A2ALDH1A1HTTHSD17B2 | |
| SCHEMBL5880952 | 0.96 | HTT (0.48) | SCN9AALDH1A1HTTHSD17B2KDM4E | |
| SCHEMBL4564333 | 0.95 | HTT (0.50) | SCN9AALDH1A1HTTHSD17B2TSHR | |
| SCHEMBL11390977 | 0.92 | HSD17B2 (0.49) | SCN9AHSD17B2KDM4ECYP1A2CYP3A4 | |
| SCHEMBL7875085 | 0.84 | GBA1 (0.47) | HSD17B2KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5006266 | 0.82 | HSD17B2 (0.42) | SCN9AHSD17B2KDM4ECYP1A2CYP3A4 | |
| SCHEMBL5006259 | 0.82 | HSD17B2 (0.42) | SCN9AHSD17B2KDM4ECYP1A2CYP3A4 | |
| SCHEMBL11407097 | 0.78 | MMP12 (0.55) | SCN9ACYP1A2 | |
| SCHEMBL6551164 | 0.78 | SLC18A2 (0.46) | SLC18A2ALDH1A1HTT | |
| SCHEMBL7785415 | 0.78 | SLC18A2 (0.46) | SLC18A2ALDH1A1HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7452893-B2 | 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists | MERCK & CO., INC. (US) | 2008-11-18 | — | — | US | disclosed |