Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.38 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.38 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.38 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B | O95264 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4907271 | 0.76 | ORAI1 (0.40) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL9699016 | 0.73 | ORAI1 (0.38) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL5392162 | 0.73 | ORAI1 (0.38) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| Hydrochloric Acid SCHEMBL7932226 | 0.70 | ORAI1 (0.36) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| Hydrochloric Acid SCHEMBL7936288 | 0.70 | ORAI1 (0.36) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL9538584 | 0.68 | CHRNA7 (0.35) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL811571 | 0.68 | ORAI1 (0.34) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL10861780 | 0.66 | ORAI1 (0.33) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| Hydrochloric Acid SCHEMBL18074876 | 0.65 | ORAI1 (0.33) | ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL15688112 | 0.63 | ORAI1 (0.35) | ORAI1ORAI2ORAI3TRPV6HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-106699688-A | Phenyl piperazidine thioether and preparation method thereof | 斯芬克司药物研发（天津）股份有限公司 | 2017-05-24 | — | — | CN | disclosed |