Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 7/20 | 0.49 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | QDPR | P09417 | 1/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.35 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 SCHEMBL28258135 | 0.86 | KDM1A (0.36) | HTR2CDRD2DRD1DRD4DRD5 | |
| Tert-Butyl Formate SCHEMBL27487857 | 0.84 | HTR2C (0.49) | HTR2CSLC18A3SIGMAR1DRD2DRD3 | |
| Tert-Butyl Formate SCHEMBL28024457 | 0.84 | HTR2C (0.49) | HTR2CSLC18A3SIGMAR1HTR6QDPR | |
| Tert-Butyl Formate SCHEMBL27950764 | 0.83 | HTR2C (0.44) | HTR2CSLC18A3SIGMAR1QDPR | |
| Tert-Butyl Formate SCHEMBL27488567 | 0.83 | SLC18A3 (0.62) | HTR2CSLC18A3SIGMAR1HTR6KMT2A | |
| SCHEMBL264556 | 0.83 | HTR2C (0.62) | HTR2CSLC18A3SIGMAR1HTR6DRD2 | |
| Tert-Butyl Formate SCHEMBL27635042 | 0.82 | DRD3 (0.51) | HTR2CSLC18A3SIGMAR1HTR6DRD2 | |
| Hydrochloric Acid SCHEMBL1764922 | 0.81 | HTR2C (0.64) | HTR2CSLC18A3SIGMAR1HTR6DRD2 | |
| Tert-Butyl Formate SCHEMBL27503582 | 0.81 | HTR2C (0.46) | HTR2CSLC18A3SIGMAR1HTR6DRD2 | |
| Tert-Butyl Formate SCHEMBL28059421 | 0.80 | HTR2C (0.45) | HTR2CSLC18A3SIGMAR1KMT2A |
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 |