Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 4/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.53 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.38 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.38 |
| ▸ | CHRNG | P07510 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL14390151 | 1.00 | SLC6A2 (0.53) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| SCHEMBL18296314 | 0.88 | OPRM1 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| Hydrochloric Acid SCHEMBL26117908 | 0.86 | OPRM1 (0.50) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| SCHEMBL13959656 | 0.82 | DRD2 (0.52) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2A | |
| SCHEMBL19074637 | 0.82 | SLC6A2 (0.51) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| SCHEMBL27225389 | 0.82 | HTR2A (0.59) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| SCHEMBL4331091 | 0.82 | HTR2A (0.59) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| SCHEMBL27099782 | 0.82 | HTR2A (0.59) | SLC6A2SLC6A3SLC6A4CYP2D6OPRM1 | |
| Hydrochloric Acid SCHEMBL5874274 | 0.77 | CYP2D6 (0.46) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2A | |
| Hydrochloric Acid SCHEMBL5874148 | 0.77 | CYP2D6 (0.46) | SLC6A2SLC6A3SLC6A4CYP2D6HTR2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024107393-A1 | TRICYCLIC COMPOUNDS | SCHRÖDINGER, INC. (US) | 2024-05-23 | — | — | WO | disclosed |
| WO-2022167867-A1 | SUBSTITUTED CYCLIC MODULATORS OF PROTEIN PHOSPHATASE 2A (PP2A) AND METHODS USING SAME | RAPPTA THERAPEUTICS OY (FI) | 2022-08-11 | — | — | WO | disclosed |