Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 5/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 4/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | BRS3 | P32247 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | KDM6B | O15054 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2658779 | 0.84 | QPCT (0.56) | TBXAS1NOTUMCYP19A1ITGB3ITGA2B | |
| SCHEMBL29378377 | 0.80 | NOTUM (0.55) | NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL7891506 | 0.78 | FFAR1 (0.51) | TBXAS1NOTUMFFAR1KEAP1PPARD | |
| SCHEMBL20514258 | 0.78 | NOTUM (0.49) | NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL6853891 | 0.78 | NOTUM (0.51) | TBXAS1NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL6850531 | 0.77 | NOTUM (0.55) | NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL12844428 | 0.77 | CYP19A1 (0.59) | NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL16093330 | 0.77 | NOTUM (0.55) | NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL533418 | 0.76 | NOTUM (0.58) | NOTUMKEAP1CYP19A1BRS3 | |
| SCHEMBL9969614 | 0.76 | NOTUM (0.54) | TBXAS1NOTUMCYP19A1BRS3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101541331-A | Novel macrolides and ketolides with antimicrobial activity | WOCKHARDT RESEARCH CENTER (IN) | 2009-09-23 | — | — | CN | disclosed |
| EP-0432212-A1 | HERBICIDAL TRIAZOLINONES. | FMC CORP (US) | 1991-06-19 | — | — | EP | disclosed |
| WO-1990002120-A1 | HERBICIDAL TRIAZOLINONES | FMC CORPORATION (US) | 1990-03-08 | — | — | WO | disclosed |