Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10824408 | 0.98 | CYP3A4 (0.43) | CYP3A4CYP2C19TP53NAPRTSLC6A2 | |
| SCHEMBL11458883 | 0.80 | BRD4 (0.44) | PTGS2ALDH1A1TSHRMAPK1KDM4E | |
| SCHEMBL28718502 | 0.79 | CYP3A4 (0.33) | CYP3A4CYP2C19TP53NAPRTCYP19A1 | |
| SCHEMBL27566422 | 0.79 | HSD17B10 (0.42) | CYP3A4CYP2C19SLC6A3CYP19A1ALDH1A1 | |
| SCHEMBL23832254 | 0.79 | MMP8 (0.47) | CYP19A1ALDH1A1TSHRKDM4EHSD17B10 | |
| SCHEMBL11879035 | 0.77 | CYP19A1 (0.49) | CYP3A4CYP2C19TP53NAPRTCYP19A1 | |
| SCHEMBL23555481 | 0.77 | ROCK2 (0.42) | CYP3A4CYP2C19TP53NAPRTSLC6A2 | |
| SCHEMBL7269087 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C19TP53NAPRTSLC6A2 | |
| SCHEMBL306354 | 0.76 | CA1 (0.44) | CYP3A4CYP2C19NAPRTSLC6A2SLC6A4 | |
| SCHEMBL8062050 | 0.76 | SRC (0.61) | CYP3A4CYP2C19NAPRTSLC6A2SLC6A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114828999-A | Gas storage materials containing metal-organic structures bound via hydroxamic acids | 学校法人立教学院 | 2022-07-29 | — | — | CN | disclosed |
| CN-114072454-A | Metal-organic structure having terephthalic acid-based ligand | 学校法人立教学院 | 2022-02-18 | — | — | CN | disclosed |
| CN-113811525-A | Metal organic structure | 学校法人立教学院 | 2021-12-17 | — | — | CN | disclosed |