Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.35 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4237005 | 0.93 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL4228491 | 0.91 | NPC1 (0.53) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL4227217 | 0.89 | SMN1; SMN2 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL4227286 | 0.88 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL4237270 | 0.86 | PIK3CD (0.49) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL1704298 | 0.84 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL4229018 | 0.83 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL1704245 | 0.76 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL12471910 | 0.75 | NPC1 (0.55) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD | |
| SCHEMBL1703383 | 0.75 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2097422-A1 | THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS | Eli Lilly & Co. (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008064018-A1 | THIENOPYRIMIDINONES FOR TREATMENT OF INFLAMMATORY DISORDERS AND CANCERS | ELI LILLY & CO. (US) | 2008-05-29 | — | — | WO | disclosed |