Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NR0B1 | P51843 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | PKM | P14618 | 3/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28181946 | 0.78 | CYP2A6 (0.69) | CYP2A6NPC1RAB9AKDM4EAMY1A | |
| SCHEMBL524926 | 0.76 | RAB9A (0.61) | NPC1RAB9AKDM4ELMNAPKM | |
| SCHEMBL17422736 | 0.74 | MAPT (0.48) | NR0B1NQO2NPC1RAB9AKDM4E | |
| SCHEMBL17422737 | 0.74 | MAPT (0.48) | NR0B1NQO2NPC1RAB9AKDM4E | |
| SCHEMBL1851275 | 0.73 | CYP2A6 (0.49) | CYP2A6NPC1RAB9AKDM4EAMY1A | |
| SCHEMBL1177092 | 0.72 | CYP2A6 (0.60) | CYP2A6NPC1RAB9AKDM4EAMY1A | |
| SCHEMBL2458423 | 0.70 | CYP2A6 (0.69) | CYP2A6NPC1RAB9AKDM4EAMY1A | |
| SCHEMBL2458425 | 0.70 | CYP2A6 (0.69) | CYP2A6NPC1RAB9AKDM4EAMY1A | |
| SCHEMBL18335693 | 0.70 | CYP2A6 (0.49) | CYP2A6NPC1RAB9AAMY1ABCHE | |
| SCHEMBL7369917 | 0.70 | RAB9A (0.69) | NPC1RAB9AKDM4ELMNAPKM |
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 |
|---|---|---|---|---|---|---|---|
| US-6294541-B1 | ENZYME INHIBITORS USING PURINE COMPOUNDS AS ANTIHISTAMINES | EURO-CELTIQUE S.A. (LU) | 2001-09-25 | — | — | US | disclosed |