Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 9/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27787733 | 0.91 | SIGMAR1 (0.39) | SLC6A2SLC6A4 | |
| SCHEMBL27766089 | 0.85 | KDM4E (0.51) | KDM4ESLC6A2SLC6A4HTR6HTR1A | |
| Tert-Butyl Formate SCHEMBL27766288 | 0.85 | TDP1 (0.46) | SLC6A4OPRD1CHRM3 | |
| Tert-Butyl Formate SCHEMBL27684526 | 0.81 | SIGMAR1 (0.39) | KDM4EHTR6CHRM3 | |
| Nitrobenzene SCHEMBL27703662 | 0.77 | KCNJ1 (0.45) | KDM4EHTR1AKCNH2 | |
| Fluorobenzene SCHEMBL27488633 | 0.74 | SIGMAR1 (0.52) | KDM4ESLC6A2SLC6A4 | |
| Tert-Butyl Formate SCHEMBL27600872 | 0.72 | TDP1 (0.42) | SLC6A2SLC6A4KCNH2 | |
| Tert-Butyl Formate SCHEMBL28058831 | 0.72 | TDP1 (0.42) | OPRM1OPRD1 | |
| Tert-Butyl Formate SCHEMBL27958701 | 0.71 | TDP1 (0.45) | CHRM3 | |
| Tert-Butyl Formate SCHEMBL28118470 | 0.70 | TDP1 (0.52) | KDM4E |
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-102838546-B | Pyrazole derivatives as modulators of 5-ht2a serotonin receptor useful for treatment of disorders related thereto | ARENA PHARM INC | 2015-07-15 | — | — | CN | disclosed |