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 | 2/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 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 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
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 | |
| SCHEMBL7819853 | 0.74 | HTR2C (0.47) | HTR2CSIGMAR1HTR3EHTR3BHTR3A | |
| SCHEMBL9070652 | 0.74 | HTR2C (0.44) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL9571955 | 0.73 | — | — | |
| SCHEMBL5392162 | 0.73 | ORAI1 (0.38) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| SCHEMBL28147221 | 0.73 | ORAI1 (0.38) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| Hydrochloric Acid SCHEMBL7932226 | 0.70 | ORAI1 (0.36) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| Hydrochloric Acid SCHEMBL7936288 | 0.70 | ORAI1 (0.36) | ORAI1ORAI2ORAI3TRPV6HTR2C | |
| Biphenyl SCHEMBL27720670 | 0.68 | ALDH1A1 (0.64) | HTR2CSIGMAR1OPRM1HTR3EHTR3B | |
| SCHEMBL9538584 | 0.68 | CHRNA7 (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 |
|---|---|---|---|---|---|---|---|
| US-5109013-A | 2-(2-substituted aminoethyl)-1,4-dialkyl-3,4-dihydro-1H-1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-ones as muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-04-28 | — | — | US | claimed |