Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 4/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | FPR1 | P21462 | 1/20 | 0.32 |
| ▸ | FPR2 | P25090 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 SCHEMBL27970141 | 0.88 | GRK2 (0.40) | TACR1SLC6A3SLC6A4TDP1SLC6A2 | |
| Tert-Butyl Formate SCHEMBL27970142 | 0.88 | GRK2 (0.40) | TACR1SLC6A3SLC6A4TDP1SLC6A2 | |
| SCHEMBL2146401 | 0.82 | KDM1A (0.45) | TACR1SLC6A3SLC6A4KDM1AHTR2C | |
| SCHEMBL16031350 | 0.82 | KDM1A (0.45) | TACR1SLC6A3SLC6A4KDM1AHTR2C | |
| SCHEMBL2146399 | 0.82 | KDM1A (0.45) | TACR1SLC6A3SLC6A4KDM1AHTR2C | |
| SCHEMBL16031353 | 0.82 | KDM1A (0.45) | TACR1SLC6A3SLC6A4KDM1AHTR2C | |
| Tert-Butyl Formate SCHEMBL27970029 | 0.78 | GRK2 (0.40) | TACR1SLC6A3SLC6A4TDP1SLC6A2 | |
| Tert-Butyl Formate SCHEMBL27970027 | 0.78 | GRK2 (0.40) | TACR1SLC6A3SLC6A4TDP1SLC6A2 | |
| Tert-Butyl Formate SCHEMBL27412204 | 0.77 | TDP1 (0.54) | TDP1 | |
| Tert-Butyl Formate SCHEMBL27412203 | 0.77 | TDP1 (0.54) | TDP1 |
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-105209457-A | Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2015-12-30 | — | — | CN | disclosed |