Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10126971 | 1.00 | ALDH1A1 (0.58) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL16305330 | 0.89 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL10035914 | 0.85 | HTT (0.81) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL328462 | 0.84 | WDR5 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL30464731 | 0.84 | WDR5 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL10036442 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL30464729 | 0.84 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL10036125 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL30310802 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT | |
| SCHEMBL22471238 | 0.83 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP3A4CYP2C19HTT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118955502-A | Compounds with kinase inhibitory activity | 上海赛岚生物科技有限公司 | 2024-11-15 | — | — | CN | disclosed |
| CN-116323562-B | Compounds with kinase inhibitory activity | 上海赛岚生物科技有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-113968856-B | Compounds with kinase inhibitory activity | 上海赛岚生物科技有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-116323562-A | Compounds with kinase inhibitory activity | 上海赛岚生物科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-113968856-A | Compounds with kinase inhibition activity | 上海赛岚生物科技有限公司 | 2022-01-25 | — | — | CN | disclosed |