Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | BRS3 | P32247 | 4/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCND2 | P30279 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | KDM6B | O15054 | 1/20 | 0.38 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27566511 | 0.84 | ADORA1 (0.50) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL5431795 | 0.83 | TSHR (0.36) | ADORA2BADORA3ADORA1ADORA2AMAPK8 | |
| SCHEMBL6574184 | 0.82 | ADORA2B (0.53) | ADORA2BADORA3ADORA1ADORA2ACNR1 | |
| SCHEMBL8102625 | 0.80 | ADORA2B (0.46) | ADORA2BADORA3ADORA1ADORA2ACNR1 | |
| SCHEMBL6553680 | 0.78 | MTOR (0.48) | ADORA2BADORA3ADORA1ADORA2ACNR1 | |
| SCHEMBL6135707 | 0.78 | ADORA3 (0.41) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| Ethylene SCHEMBL6742145 | 0.77 | MTOR (0.47) | ADORA2BADORA3ADORA1ADORA2ACNR1 | |
| SCHEMBL5860152 | 0.77 | ADORA1 (0.50) | ADORA2BADORA3ADORA1ADORA2APIK3CA | |
| SCHEMBL6135837 | 0.76 | ADORA1 (0.46) | ADORA2BADORA3ADORA1ADORA2AKDM4E | |
| SCHEMBL5616732 | 0.76 | ADORA2B (0.74) | ADORA2BADORA3ADORA1ADORA2APIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0970081-A1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LIMITED (GB) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998035966-A1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LIMITED (GB) | 1998-08-20 | — | — | WO | disclosed |
| US-5776940-A | COMPOUNDS FOR TREATMENT OF SEPTIC SHOCK, ANTIINFLAMMATORY AND ANTIALLERGENS | GLAXO WELLCOME INC. (US) | 1998-07-07 | — | — | US | disclosed |