Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3815239 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP2D6CYP2C9CYP2C19EPHX2 | |
| SCHEMBL11641261 | 0.82 | RNF4 (0.54) | CYP1A2CYP2D6CYP2C9CYP2C19EPHX2 | |
| SCHEMBL5162602 | 0.81 | POLB (0.51) | RAB9AEPHX2MEN1KMT2AHDAC3 | |
| SCHEMBL22169186 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2D6CYP2C9CYP2C19EPHX2 | |
| SCHEMBL5165552 | 0.81 | NLRP3 (0.54) | NPC1RAB9ACYP1A2CYP2C19MEN1 | |
| SCHEMBL24124271 | 0.79 | MAPT (0.62) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL30522640 | 0.79 | MAPT (0.62) | CYP1A2CYP2D6CYP2C9CYP2C19MEN1 | |
| SCHEMBL11644890 | 0.79 | CYP1A2 (0.48) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11644204 | 0.78 | PRMT1 (0.58) | CYP1A2CYP2D6CYP2C9CYP2C19EPHX2 | |
| SCHEMBL27988317 | 0.77 | SRC (0.54) | NPC1MEN1KMT2ASMN1; SMN2TP53 |
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-112778203-B | Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine | 兰州交通大学 | 2022-02-15 | — | — | CN | disclosed |
| CN-112778203-A | Process for the preparation of 1H-indazole-3-carboxylic acid derivatives and granisetron and lonidamine | 兰州交通大学 | 2021-05-11 | — | — | CN | disclosed |