Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.66 |
| ▸ | RAB9A | P51151 | 4/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28599669 | 0.85 | MAPT (0.59) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22798955 | 0.85 | IMPDH2 (0.50) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28613064 | 0.84 | HDAC2 (0.57) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9400456 | 0.82 | NPC1 (0.68) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL777068 | 0.82 | NPC1 (0.68) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7478284 | 0.80 | RXFP1 (0.60) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL31152642 | 0.80 | RXFP1 (0.60) | NPC1RAB9AMAPTKMT2AMEN1 | |
| SCHEMBL30184438 | 0.80 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4642544 | 0.80 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL22532077 | 0.78 | NPC1 (0.54) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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-113200873-B | Ortho-position halogenated arylamine compound and synthesis method thereof | 山东硅科新材料有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-113200873-A | Ortho-position halogenated arylamine compound and synthesis method thereof | 山东硅科新材料有限公司 | 2021-08-03 | — | — | CN | disclosed |