Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.38 |
| ▸ | HTR3B | O95264 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.38 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7935000 | 0.80 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL4179473 | 0.78 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL2973133 | 0.78 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL470846 | 0.78 | CHRNB2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL18914199 | 0.78 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL25053362 | 0.78 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL1579434 | 0.78 | CHRNB2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL3976295 | 0.78 | CHRNB2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL18913839 | 0.78 | CHRNB2 (0.55) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 | |
| SCHEMBL27600521 | 0.78 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3CYP2D6TAAR1 |
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-113549046-A | Bisbecklonin S derivative and preparation method and application thereof | 山东大学 | 2021-10-26 | — | — | CN | disclosed |