Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.69 |
| ▸ | CDK1 | P06493 | 2/20 | 0.58 |
| ▸ | CTSL | P07711 | 6/20 | 0.53 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | SLC29A1 | Q99808 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17595248 | 0.81 | CYP1A2 (1.00) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7204064 | 0.80 | ADORA2A (0.76) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17595155 | 0.78 | CYP1A2 (0.67) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7209433 | 0.72 | ALDH1A1 (0.66) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7209250 | 0.71 | ADORA2A (0.69) | CYP1A2ALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7209277 | 0.70 | ADORA2A (0.80) | CDK1TMIGD3ADORA2AADORA1 | |
| SCHEMBL19112096 | 0.70 | CDK1 (0.69) | CDK1CDK2KDM4ENPC1MAPT | |
| SCHEMBL17933852 | 0.69 | ADORA2A (0.74) | CDK1CTSLTMIGD3ADORA2AADORA1 | |
| SCHEMBL5162419 | 0.69 | ADORA2A (0.82) | CDK1TMIGD3ADORA2AADORA1CDK2 | |
| SCHEMBL7212614 | 0.69 | ADORA2A (0.72) | CDK1TMIGD3ADORA2AADORA1HDAC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016038562-A1 | THIOGUANINE DERIVATIVES | MALAYSIAN INSTITUTE OF PHARMACEUTICALS AND NUTRACEUTICALS (MY) | 2016-03-17 | — | — | WO | claimed |
| WO-2016038562-A1 | THIOGUANINE DERIVATIVES | MALAYSIAN INSTITUTE OF PHARMACEUTICALS AND NUTRACEUTICALS (MY) | 2016-03-17 | — | — | WO | disclosed |
| US-9034923-B2 | Methods for the treatment of senile dementia of the alzheimer's type | PHENOMENOME DISCOVERIES INC. (CA) | 2015-05-19 | — | — | US | disclosed |