Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.66 |
| ▸ | DRD2 | P14416 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | HTR3A | P46098 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23647452 | 1.00 | SIGMAR1 (0.66) | SIGMAR1DRD2CYP2D6USP2HTR2C | |
| SCHEMBL1132825 | 0.87 | SIGMAR1 (0.51) | SIGMAR1CA12CA1CA2CA4 | |
| Hydrochloric Acid SCHEMBL2338494 | 0.85 | SIGMAR1 (0.50) | SIGMAR1MAPTCA12CA1CA2 | |
| SCHEMBL30976388 | 0.81 | SIGMAR1 (0.68) | SIGMAR1DRD2CYP2D6USP2HTR2C | |
| SCHEMBL1659035 | 0.81 | SIGMAR1 (0.68) | SIGMAR1DRD2CYP2D6USP2HTR2C | |
| SCHEMBL3242340 | 0.79 | SIGMAR1 (0.66) | SIGMAR1DRD2CYP2D6USP2HTR2C | |
| SCHEMBL5805869 | 0.79 | SIGMAR1 (1.00) | SIGMAR1DRD2CYP2D6USP2HTR2C | |
| SCHEMBL30368868 | 0.79 | SIGMAR1 (1.00) | SIGMAR1DRD2CYP2D6USP2HTR2C | |
| SCHEMBL8040967 | 0.77 | OPRM1 (0.56) | SIGMAR1HTR2CADRB1OPRM1 | |
| SCHEMBL615237 | 0.76 | SIGMAR1 (0.60) | SIGMAR1DRD2CYP2D6USP2HTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114867720-B | Heteroaryl derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-10-22 | — | — | CN | disclosed |
| CN-116323622-A | Bicyclic heteroaryl derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2023-06-23 | — | — | CN | disclosed |
| WO-2022237178-A1 | BICYCLIC HETEROARYL DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2022-11-17 | — | — | WO | disclosed |
| CN-115340545-A | Bicyclic heteroaryl derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2022-11-15 | — | — | CN | disclosed |