Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 2/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.40 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13425651 | 0.87 | CYP1A2 (0.49) | MAOBTLR8PDE5AMAOA | |
| SCHEMBL3393346 | 0.83 | HSP90AA1 (0.59) | DHFRADORA2AADORA1ALDH1A1HSP90AA1 | |
| SCHEMBL3399437 | 0.83 | BRD4 (0.51) | MAOBMAPK1TLR8PDE5A | |
| SCHEMBL3399496 | 0.79 | CHRNA7 (0.47) | MAOBADORA2AADORA1ALDH1A1HSP90AA1 | |
| SCHEMBL28511492 | 0.79 | CDK5 (0.58) | MAOBDHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL30507237 | 0.79 | CDK5 (0.58) | MAOBDHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL3394031 | 0.78 | NCOA1 (0.44) | MAOBADORA2AADORA1HSP90AA1HSP90AB1 | |
| SCHEMBL3395949 | 0.77 | ATR (0.48) | DHFRADORA2AADORA1TLR8 | |
| SCHEMBL3393510 | 0.77 | ADORA2A (0.40) | MAOBDHFRADORA2AADORA1HSP90AA1 | |
| SCHEMBL3398117 | 0.77 | MPL (0.44) | MAOBADORA2AADORA1HSP90AA1 |
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-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |