Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD1 | P21728 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30412133 | 1.00 | DRD1 (0.72) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL2200119 | 1.00 | DRD1 (0.72) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL31329325 | 0.88 | DRD1 (0.82) | DRD1CYP3A4TDP1 | |
| SCHEMBL624624 | 0.88 | DRD1 (0.82) | DRD1CYP3A4TDP1 | |
| SCHEMBL17743663 | 0.86 | DRD1 (0.97) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL29351143 | 0.84 | DRD1 (1.00) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL1884333 | 0.84 | DRD1 (0.49) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL29359136 | 0.84 | DRD1 (1.00) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL6953 | 0.84 | DRD1 (1.00) | DRD1CYP3A4TDP1ESR1ESR2 | |
| SCHEMBL25373924 | 0.83 | DRD1 (0.97) | DRD1CYP3A4TDP1 |
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-116888101-A | Substituted isoxazoline derivatives | 巴斯夫欧洲公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-114450281-A | Inhibitor compounds | 辛塞拉治疗私人有限公司 | 2022-05-06 | — | — | CN | disclosed |