Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.30 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13777970 | 1.00 | NPSR1 (0.38) | NPSR1USP2CYP3A4MEN1KMT2A | |
| SCHEMBL31261785 | 1.00 | NPSR1 (0.38) | NPSR1USP2CYP3A4MEN1KMT2A | |
| SCHEMBL22220534 | 0.88 | NPSR1 (0.36) | NPSR1USP2CYP3A4MEN1KMT2A | |
| SCHEMBL23643970 | 0.80 | NPSR1 (0.38) | NPSR1USP2CYP3A4MEN1KMT2A | |
| SCHEMBL17393598 | 0.80 | NPSR1 (0.38) | NPSR1USP2CYP3A4MEN1KMT2A | |
| SCHEMBL27800369 | 0.79 | CYP4F2 (0.34) | USP2CYP4F2CYP4A11 | |
| SCHEMBL2712442 | 0.79 | PARP1 (0.34) | USP2TSHRALDH1A1 | |
| SCHEMBL19255876 | 0.79 | PARP1 (0.34) | USP2TSHRALDH1A1 | |
| SCHEMBL2906775 | 0.79 | PARP1 (0.34) | USP2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL17393600 | 0.78 | NPSR1 (0.37) | NPSR1USP2CYP3A4MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015077905-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |