Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 6/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.65 |
| ▸ | NPC1 | O15118 | 5/20 | 0.65 |
| ▸ | RAB9A | P51151 | 5/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.65 |
| ▸ | GAA | P10253 | 4/20 | 0.65 |
| ▸ | HTT | P42858 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL1006629 | 0.87 | ALDH1A1 (0.54) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL27633763 | 0.86 | MAPT (0.73) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL3985920 | 0.85 | POLB (0.59) | MAPTNPC1RAB9AALDH1A1HTT | |
| SCHEMBL3989117 | 0.83 | HTT (0.55) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL27654972 | 0.82 | NOX1 (0.56) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL1259295 | 0.81 | CYP1A2 (1.00) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL28410091 | 0.81 | RAB9A (0.68) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| Hydrogen Sulfide SCHEMBL28246712 | 0.80 | CYP1A2 (0.96) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL17637643 | 0.79 | MAPT (0.73) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 | |
| SCHEMBL28471116 | 0.79 | NPC1 (1.00) | CYP1A2CYP2C19MAPTSMN1; SMN2NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1824651-A | Method of synthesizing thio methyl carbamater from aniline under normal pressure | DALIAN CHEMICAL PHYSICS INST (CN) | 2006-08-30 | — | — | CN | disclosed |