Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.51 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | HPGD | P15428 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27499528 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL31207186 | 0.83 | CYP3A4 (0.41) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL4363589 | 0.79 | PDE4B (0.46) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL5987900 | 0.78 | HTR2A (0.42) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL30659689 | 0.78 | CYP3A4 (0.42) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL10158521 | 0.78 | CYP3A4 (0.42) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL30973555 | 0.78 | CYP3A4 (0.50) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL14010908 | 0.78 | CYP1A2 (0.43) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL20615145 | 0.76 | CYP3A4 (0.51) | CYP1A2CYP3A4MAOACYP2D6TSHR | |
| SCHEMBL20615328 | 0.74 | CYP3A4 (0.46) | CYP1A2CYP3A4MAOACYP2D6TSHR |
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-118320030-A | Compound preparation for treating children dyspepsia and adult stomach diseases and preparation method thereof | 王金祥 | 2024-07-12 | — | — | CN | claimed |
| CN-117843407-A | Disease and pest resistant fertilizer produced by traditional Chinese medicine and preparation process thereof | 宝鸡子奕生物科技有限公司 | 2024-04-09 | — | — | CN | disclosed |