Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PPM1B | O75688 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 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 | |
|---|---|---|---|---|
| SCHEMBL21584101 | 1.00 | KMT2A (0.41) | KMT2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL31590369 | 0.81 | KMT2A (0.44) | KMT2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3135126 | 0.81 | KMT2A (0.44) | KMT2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL3135120 | 0.81 | KMT2A (0.44) | KMT2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL5870467 | 0.81 | KMT2A (0.44) | KMT2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL13439528 | 0.81 | ALDH1A1 (0.46) | KMT2AKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL1745137 | 0.77 | CYP2D6 (0.36) | KMT2ACYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL1745139 | 0.77 | CYP2D6 (0.36) | KMT2ACYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL8231387 | 0.76 | POLB (0.31) | — | |
| SCHEMBL8422235 | 0.75 | KDM4E (0.31) | KDM4EALDH1A1HPGDHSD17B10CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019228341-A1 | INHIBITOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 (CN) | 2019-12-05 | — | — | WO | disclosed |
| US-7705008-B2 | Prostaglandin analogs | ALLERGAN, INC. (US) | 2010-04-27 | — | — | US | disclosed |