Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.35 |
| ▸ | PARP1 | P09874 | 2/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.33 |
| ▸ | KDM4A | O75164 | 1/20 | 0.32 |
| ▸ | KDM4B | O94953 | 1/20 | 0.32 |
| ▸ | KDM5C | P41229 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.32 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.32 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6843715 | 0.75 | HPRT1 (0.33) | ALDH1A1HPRT1 | |
| SCHEMBL31685332 | 0.74 | MEN1 (0.34) | ALDH1A1ATAD2BRD4PIK3CDALPL | |
| SCHEMBL21383159 | 0.69 | HPRT1 (0.48) | ALDH1A1PIM1PARP1CHEK1RPS6KA3 | |
| SCHEMBL24139720 | 0.64 | ALDH1A1 (0.37) | ALDH1A1PIM1CHEK1ACVR1HPGD | |
| SCHEMBL1866525 | 0.64 | HPRT1 (0.58) | ALDH1A1HPRT1HPGDKDM4AKDM4B | |
| SCHEMBL24138919 | 0.62 | GSK3A (0.38) | ALDH1A1PIM1HPGDDAPK3PRKD3 | |
| SCHEMBL24139276 | 0.62 | ALDH1A1 (0.35) | ALDH1A1ACVR1HPGDADORA2A | |
| SCHEMBL6674432 | 0.62 | GDA (0.38) | ALDH1A1HPRT1ATAD2BRD4PIK3CD | |
| SCHEMBL178985 | 0.61 | GAA (0.41) | ALDH1A1HPGD | |
| SCHEMBL24138918 | 0.60 | HTR3A (0.33) | ALDH1A1KDM4AKDM4BKDM5CKDM5B |
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-8648064-B2 | Metal complexes of N-heterocyclic carbenes | THE UNIVERSITY OF AKRON (US) | 2014-02-11 | — | — | US | disclosed |