Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | NPC1 | O15118 | 2/20 | 0.66 |
| ▸ | RAB9A | P51151 | 2/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | MAPT | P10636 | 1/20 | 0.66 |
| ▸ | MAOA | P21397 | 1/20 | 0.66 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.66 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.66 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL6905879 | 1.00 | SMN1; SMN2 (0.66) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL2468017 | 0.94 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL1334 | 0.94 | SMN1; SMN2 (0.72) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL28249412 | 0.88 | LMNA (0.64) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| Raspberryketone SCHEMBL28250175 | 0.88 | CALM1 (0.66) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| Benzylacetone SCHEMBL28928562 | 0.88 | ALDH1A1 (0.72) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL11138135 | 0.86 | MAPT (0.62) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL24799818 | 0.84 | F2RL1 (0.72) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL1105476 | 0.84 | ALOX5 (0.68) | SMN1; SMN2NPC1RAB9AKDM4ELMNA | |
| SCHEMBL28250079 | 0.83 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9AKDM4ELMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6821783-B1 | FOR PI-ORBITAL CONTAINING SUBSTRATE FOR SUBSEQUENT SYNTHESIS BY COMBINATORIAL CHEMISTRY/MULTIPLE PARALLEL SYNTHESIS (MPS); SOLID PHASE SYNTHESIS | ASTRAZENECA AB (SE) | 2004-11-23 | — | — | US | disclosed |
| EP-1100759-B1 | TRANSITION METAL COMPLEXES AS LINKERS | ASTRAZENECA AB (SE) | 2003-03-26 | — | — | EP | disclosed |
| EP-1100759-A1 | TRANSITION METAL COMPLEXES AS LINKERS | AstraZeneca AB (SE) | 2001-05-23 | — | — | EP | disclosed |
| WO-2000007966-A1 | TRANSITION METAL COMPLEXES AS LINKERS | ASTRAZENECA AB (SE) | 2000-02-17 | — | — | WO | disclosed |