Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.59 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8236459 | 0.84 | CYP1A2 (0.61) | CYP1A2CYP2C19NPSR1CHRNB4CHRNA3 | |
| SCHEMBL4310997 | 0.82 | CYP1A2 (0.58) | CYP1A2CYP2C19NPSR1CHRNB4CHRNA3 | |
| SCHEMBL10847076 | 0.80 | CYP1A2 (0.58) | CYP1A2CYP2C19NPSR1CHRNB4CHRNA3 | |
| SCHEMBL1742667 | 0.78 | CYP1A2 (0.81) | CYP1A2CYP2C19NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL5861384 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP2C19NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL11477888 | 0.78 | CYP1A2 (0.53) | CYP1A2CYP2C19NPSR1CHRNB4CHRNA3 | |
| SCHEMBL14107049 | 0.78 | TDP1 (0.57) | CYP1A2CYP2C19NPSR1CHRNB4CHRNA3 | |
| SCHEMBL10116328 | 0.76 | RAB9A (0.56) | CYP1A2NPSR1MAPTSMN1; SMN2NPC1 | |
| SCHEMBL10848884 | 0.75 | CYP1A2 (0.87) | CYP1A2CYP2C19NPSR1MAPTSMN1; SMN2 | |
| SCHEMBL10116603 | 0.75 | RAB9A (0.55) | CYP1A2NPSR1MAPTSMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2000058301-A1 | N-[2-(4-AMINOPHYL)ETHYL]-2,3-DIHYDRO-1,4-BENZODIOXINE-2-METHANAMINE, PRODUCTION AND THERAPEUTIC USE THEREOF | SANOFI-SYNTHELABO (FR) | 2000-10-05 | — | — | WO | disclosed |