Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | RGS12 | O14924 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GABRR2 | P28476 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2290775 | 0.98 | GRM5 (0.51) | GRM5DRD2DRD4DRD3TSHR | |
| SCHEMBL18530722 | 0.74 | CYP1A2 (0.49) | GRM5DRD2DRD4DRD3 | |
| SCHEMBL940693 | 0.69 | GRM5 (1.00) | GRM5 | |
| SCHEMBL15991191 | 0.69 | GRM5 (0.45) | GRM5TSHRGABRR1BLMRGS12 | |
| SCHEMBL941156 | 0.69 | GRM5 (0.49) | GRM5DRD2TSHRGABRR1BLM | |
| SCHEMBL5985315 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL19989681 | 0.68 | GRM5 (0.55) | GRM5DRD2DRD4DRD3BLM | |
| SCHEMBL9091214 | 0.68 | GRM5 (0.59) | GRM5DRD2DRD4DRD3TSHR | |
| SCHEMBL3346537 | 0.67 | DRD2 (0.40) | DRD2DRD4DRD3MAPK1 | |
| Hydrochloric Acid SCHEMBL4046563 | 0.66 | GRM5 (0.46) | GRM5CYP3A4MAPK1HTR2CQDPR |
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 |
|---|---|---|---|---|---|---|---|
| CN-119816496-A | Aromatic acetylene derivative and preparation method and application thereof | 浙江海正药业股份有限公司 | 2025-04-11 | — | — | CN | disclosed |
| WO-2024067812-A1 | AROMATIC ACETYLENE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF | 浙江海正药业股份有限公司 | 2024-04-04 | — | — | WO | disclosed |