Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8515697 | 0.75 | BACE1 (0.57) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL27899307 | 0.73 | PTGS1 (0.49) | KDM4EHTTMAPTPOLBTP53 | |
| SCHEMBL17312023 | 0.73 | KDM4E (0.49) | BACE1KDM4EHTTHSD17B10MAPT | |
| SCHEMBL27769325 | 0.73 | TDP1 (0.44) | BACE1ADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL27325002 | 0.71 | ADORA3 (0.56) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL29113861 | 0.70 | BACE1 (0.73) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL11660889 | 0.70 | ADORA3 (0.54) | BACE1ADORA3ADORA2AADORA1PDE4A | |
| SCHEMBL9903140 | 0.68 | BACE1 (0.59) | BACE1PDE4AKDM4ENPC1MAPT | |
| SCHEMBL8423158 | 0.68 | BACE1 (0.55) | BACE1ADORA3ADORA2AADORA1KDM4E | |
| SCHEMBL28751615 | 0.68 | BACE1 (0.48) | BACE1ADORA3ADORA2AADORA1PDE4A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102245586-B | Thiadiazole-substituted arylamides | HOFFMANN LA ROCHE | 2014-07-09 | — | — | CN | disclosed |
| CN-101528717-B | Thiazole and oxazole-substituted arylamides | HOFFMANN LA ROCHE | 2013-04-24 | — | — | CN | disclosed |