Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.64 |
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1709232 | 0.78 | SCN9A (1.00) | SCN9ACYP3A4TSHRDRD2MEN1 | |
| SCHEMBL1709234 | 0.76 | SCN9A (0.60) | SCN9ATP53CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL10072406 | 0.73 | SCN9A (0.57) | SCN9ASIGMAR1CYP3A4TSHRCYP2C19 | |
| SCHEMBL10071963 | 0.73 | SCN9A (0.56) | SCN9ASIGMAR1CYP3A4MEN1KMT2A | |
| SCHEMBL1709211 | 0.72 | SCN9A (0.59) | SCN9ASIGMAR1TSHRMEN1KMT2A | |
| SCHEMBL1709213 | 0.72 | SCN9A (0.58) | SCN9ASIGMAR1CYP3A4ALDH1A1NAMPT | |
| SCHEMBL10071962 | 0.71 | SCN9A (0.57) | SCN9ACYP3A4NAMPT | |
| SCHEMBL7344686 | 0.69 | SMN1; SMN2 (0.75) | TSHRMEN1KMT2AALDH1A1METAP2 | |
| SCHEMBL4290319 | 0.69 | LTA4H (0.43) | SIGMAR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL13447402 | 0.67 | RXRA (0.72) | SIGMAR1TSHRMEN1KMT2AALDH1A1 |
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-2012047703-A2 | CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS | SCHERING CORPORATION (US) | 2012-04-12 | — | — | WO | disclosed |