Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.31 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6207069 | 0.98 | CYP2A6 (0.43) | CYP2A6CYP1A2CTRCBACE1NR1H2 | |
| SCHEMBL5646728 | 0.83 | AHR (0.43) | CYP2A6CYP1A2ALDH1A1LMNAPTGS2 | |
| SCHEMBL1135192 | 0.81 | — | — | |
| SCHEMBL7814378 | 0.78 | CYP2A6 (0.40) | CYP2A6CYP1A2CTRCBACE1ALDH1A1 | |
| SCHEMBL7821465 | 0.78 | CYP2A6 (0.40) | CYP2A6CYP1A2CTRCBACE1NR1H2 | |
| SCHEMBL7469723 | 0.78 | CYP2A6 (0.40) | CYP2A6CYP1A2CTRCBACE1NR1H2 | |
| SCHEMBL4281937 | 0.76 | HSD17B1 (0.48) | CYP1A2ESR2 | |
| SCHEMBL9512604 | 0.75 | CYP2A6 (0.41) | CYP2A6ALDH1A1HSD17B10HPGDNPC1 | |
| SCHEMBL3978906 | 0.74 | CYP2A6 (0.50) | CYP2A6CYP1A2CTRCBACE1NR1H2 | |
| SCHEMBL5967116 | 0.73 | AHR (0.59) | ALDH1A1NPC1RAB9AKDM4EGAA |
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-1180348-A | Pyrrolidinyl hydroxamic acid compounds and their production process | PFIZER (US) | 1998-04-29 | — | — | CN | disclosed |