Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL8437435 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP2D6KDM4EKMT2A | |
| SCHEMBL12397097 | 0.73 | ALDH1A1 (0.33) | ALDH1A1CYP2D6HIF1AKDM4EKMT2A | |
| SCHEMBL10280093 | 0.72 | KDM4E (0.57) | ALDH1A1CYP2D6KDM4EKMT2A | |
| SCHEMBL12397058 | 0.72 | OPRL1 (0.34) | ALDH1A1CYP2D6HIF1AKDM4EKMT2A | |
| SCHEMBL18390127 | 0.71 | RET (0.38) | HIF1A | |
| SCHEMBL7408898 | 0.69 | KDM4E (0.36) | ALDH1A1CYP2D6KDM4EKMT2A | |
| SCHEMBL12918527 | 0.68 | CNR1 (0.43) | ALDH1A1CYP2D6KDM4EKMT2A | |
| SCHEMBL8253488 | 0.68 | ALDH1A1 (0.51) | ALDH1A1CYP2D6KDM4EKMT2A | |
| SCHEMBL18390111 | 0.68 | RET (0.40) | ALDH1A1HIF1AKDM4E | |
| SCHEMBL14364184 | 0.66 | ALDH1A1 (0.39) | ALDH1A1CYP2D6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009141532-A2 | PYRROLE DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC APPLICATION THEREOF | SANOFI-AVENTIS (FR) | 2009-11-26 | — | — | WO | disclosed |