Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | GLS | O94925 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | FCGR1A | P12314 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 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 | |
|---|---|---|---|---|
| SCHEMBL16200268 | 0.79 | CTSA (0.35) | SMN1; SMN2NPC1RAB9AADORA2BKDM4E | |
| SCHEMBL27670942 | 0.79 | KDM4E (0.45) | SMN1; SMN2NPC1RAB9AADORA2BGLS | |
| SCHEMBL680089 | 0.79 | NPC1 (0.61) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL3489716 | 0.79 | KMT2A (0.50) | SMN1; SMN2NPC1RAB9AADORA2BKDM4E | |
| SCHEMBL3490291 | 0.78 | KCNH2 (0.48) | SMN1; SMN2NPC1RAB9AADORA2BADORA2A | |
| SCHEMBL147208 | 0.77 | — | — | |
| SCHEMBL24483815 | 0.76 | KDM4E (0.39) | SMN1; SMN2NPC1RAB9AADORA2BKDM4E | |
| SCHEMBL14261618 | 0.76 | DRD3 (0.41) | SMN1; SMN2NPC1RAB9AADORA2BKDM4E | |
| SCHEMBL21241083 | 0.76 | HPGDS (0.41) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL3221837 | 0.76 | PTGS2 (0.47) | SMN1; SMN2NPC1RAB9AKDM4EALDH1A1 |
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-8957208-B1 | Heteroleptic iridium complex bearing diazolate chelate | NATIONAL TSING HUA UNIVERSITY (TW) | 2015-02-17 | — | — | US | disclosed |