Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.58 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.58 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.58 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | ARG1 | P05089 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31301933 | 0.89 | CYP1A2 (0.42) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL19901590 | 0.89 | CYP1A2 (0.42) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL17715146 | 0.86 | CYP1A2 (0.58) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL1460088 | 0.86 | CYP1A2 (0.58) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL31000696 | 0.85 | CYP1A2 (0.43) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL28400591 | 0.85 | CHRNB2 (0.40) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL9986032 | 0.85 | CYP1A2 (0.43) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL933727 | 0.84 | CYP2D6 (0.51) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL27702389 | 0.83 | CYP1A2 (0.42) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 | |
| SCHEMBL3818475 | 0.83 | CYP1A2 (0.50) | CYP2D6CYP1A2ALOX15CYP2C19SLC1A3 |
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-110395829-A | Wastewater treatment equipment is used in the derivative production of one kind (2S, 4S) -4- t-butoxycarbonyl amino pyrrolidines | NANJING DALTON CHEMICAL TECH CO LTD | 2019-11-01 | — | — | CN | disclosed |