Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 2/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | CES1 | P23141 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31619905 | 0.66 | ALDH1A1 (0.48) | CYP1A2TP53HPGDSMN1; SMN2LMNA | |
| SCHEMBL9682799 | 0.66 | TSHR (0.44) | CYP2A6TP53TSHRALDH1A1MEN1 | |
| SCHEMBL38867 | 0.64 | — | — | |
| SCHEMBL31069530 | 0.62 | NOTUM (0.42) | NPC1TP53HPGDRAB9ASMN1; SMN2 | |
| SCHEMBL440943 | 0.62 | TSHR (0.52) | CYP2A6CYP1A2TSHRLMNANOTUM | |
| SCHEMBL29802156 | 0.60 | CYP2A6 (0.67) | CYP2A6CYP1A2NPC1TP53HPGD | |
| SCHEMBL29883244 | 0.60 | CYP2A6 (0.67) | CYP2A6CYP1A2NPC1TP53HPGD | |
| SCHEMBL671133 | 0.60 | CYP2A6 (0.67) | CYP2A6CYP1A2NPC1TP53HPGD | |
| SCHEMBL9462900 | 0.60 | CYP2A6 (0.39) | CYP2A6CYP1A2NPC1TP53HPGD | |
| SCHEMBL2095365 | 0.60 | NOTUM (0.40) | CYP2A6TSHRLMNANOTUMBLM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0490772-B1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR (FR) | 1995-07-26 | — | — | EP | disclosed |
| EP-0490772-A1 | 1,4-Disubstituted piperazines, their process of preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1992-06-17 | — | — | EP | disclosed |