Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.33 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL29770806 | 0.90 | CNR1 (0.42) | BACE1CNR1CNR2NPC1RAB9A | |
| SCHEMBL35210926 | 0.87 | BACE1 (0.36) | BACE1CNR1CNR2NPC1RAB9A | |
| SCHEMBL35210919 | 0.86 | BACE1 (0.36) | BACE1CNR1CNR2NPC1RAB9A | |
| SCHEMBL35210671 | 0.85 | BACE1 (0.35) | BACE1CNR1CNR2NPC1RAB9A | |
| SCHEMBL26906977 | 0.83 | GPR132 (0.42) | BACE1SMN1; SMN2KCNA5ALDH1A1POLB | |
| SCHEMBL17986906 | 0.73 | KDM4E (0.53) | BACE1KCNA5ALDH1A1TACR1POLB | |
| SCHEMBL15065360 | 0.73 | BACE1 (0.44) | BACE1KCNA5ALDH1A1NPSR1HTT | |
| SCHEMBL29770728 | 0.73 | KDM4E (0.53) | BACE1KCNA5ALDH1A1TACR1POLB | |
| SCHEMBL3443405 | 0.73 | BACE1 (0.42) | BACE1SMN1; SMN2KCNA5BTN3A1ALDH1A1 | |
| SCHEMBL35210693 | 0.72 | GAA (0.47) | NPC1RAB9ASMN1; SMN2ALDH1A1HTT |
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-2016119707-A1 | NOVEL HETEROARYL AND HETEROCYCLE COMPOUNDS, COMPOSITIONS AND METHODS | HUTCHISON MEDIPHARMA LIMITED (CN) | 2016-08-04 | — | — | WO | disclosed |