Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 11/20 | 0.61 |
| ▸ | DRD3 | P35462 | 11/20 | 0.61 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.61 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.43 |
| ▸ | HTR1A | P08908 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL24719093 | 1.00 | DRD2 (0.61) | DRD2DRD3ADRB1NOTUMALDH1A1 | |
| SCHEMBL24719092 | 1.00 | DRD2 (0.61) | DRD2DRD3ADRB1NOTUMALDH1A1 | |
| SCHEMBL6812356 | 0.85 | ALDH1A1 (0.49) | DRD2DRD3ADRB1NOTUMALDH1A1 | |
| SCHEMBL8511 | 0.76 | DRD2 (1.00) | DRD2DRD3ADRB1ALDH1A1LMNA | |
| SCHEMBL6352699 | 0.76 | DRD2 (1.00) | DRD2DRD3ADRB1ALDH1A1LMNA | |
| SCHEMBL29367982 | 0.76 | DRD2 (1.00) | DRD2DRD3ADRB1ALDH1A1LMNA | |
| SCHEMBL1904488 | 0.76 | ALDH1A1 (0.63) | NOTUMALDH1A1LMNABIRC2HTR2C | |
| SCHEMBL1901041 | 0.76 | ALDH1A1 (0.63) | NOTUMALDH1A1LMNABIRC2HTR2C | |
| SCHEMBL1901039 | 0.76 | ALDH1A1 (0.63) | NOTUMALDH1A1LMNABIRC2HTR2C | |
| SCHEMBL12164853 | 0.76 | ADRB1 (0.63) | ADRB1ALDH1A1LMNAHTR1AHTR2C |
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-113166135-B | Benzothiophene derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-112778183-B | Nitrogen-containing ring derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-05-10 | — | — | CN | disclosed |