Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CDK4 | P11802 | 4/20 | 0.33 |
| ▸ | CCND1 | P24385 | 4/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL4210095 | 0.86 | CDK4 (0.33) | CDK4CCND1CYP2A6ALOX12TDP1 | |
| SCHEMBL30179235 | 0.84 | CDK4 (0.36) | CDK4CCND1TDP1 | |
| SCHEMBL6426597 | 0.82 | CDK4 (0.38) | CDK4CCND1 | |
| SCHEMBL29351222 | 0.79 | CYP2A6 (0.37) | CDK4CCND1CYP2A6ALOX12TDP1 | |
| SCHEMBL377726 | 0.75 | CDK4 (0.33) | CDK4CCND1CYP2A6ALOX12ALDH1A1 | |
| SCHEMBL7004471 | 0.75 | HTR2A (0.38) | CDK4CCND1CYP2A6ALOX12ALDH1A1 | |
| SCHEMBL5728630 | 0.73 | PTPN1 (0.37) | ALDH1A1TSHR | |
| SCHEMBL11801475 | 0.71 | HEXA (0.42) | — | |
| SCHEMBL10386587 | 0.69 | CYP2A6 (0.37) | CDK4CCND1CYP2A6ALOX12TDP1 | |
| SCHEMBL10412639 | 0.69 | CYP2A6 (0.37) | CYP2A6ALOX12ALDH1A1 |
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-2155735-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008144222-A2 | TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS | ELI LILLY AND COMPANY (US) | 2008-11-27 | — | — | WO | disclosed |
| US-4968705-A | ANTIINFLAMMATORY AGENTS FOR RESPIRATORY SYSTEM DISORDERS | ADIR ET CIE (FR) | 1990-11-06 | — | — | US | disclosed |