Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | DAO | P14920 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | KDM4B | O94953 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.36 |
| ▸ | NQO1 | P15559 | 1/20 | 0.34 |
| ▸ | CEL | P19835 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.33 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9262871 | 0.80 | PTGS2 (0.39) | PTGS2NQO1NPC1RAB9A | |
| SCHEMBL9262860 | 0.80 | PTGS2 (0.39) | PTGS2NQO1NPC1RAB9A | |
| SCHEMBL9260967 | 0.77 | SLC2A1 (0.50) | PTGS2ALDH1A1NPC1RAB9A | |
| SCHEMBL10902613 | 0.72 | PTGS2 (0.43) | PTGS2DAONR1I2KDM4BCHRM1 | |
| SCHEMBL6967130 | 0.72 | PTGS2 (1.00) | PTGS2 | |
| SCHEMBL9268931 | 0.71 | DAO (0.41) | PTGS2DAONQO1CELALDH1A1 | |
| SCHEMBL9272735 | 0.68 | PTGS2 (0.42) | PTGS2DAONR1I2KDM4BCHRM1 | |
| SCHEMBL30564413 | 0.67 | PTGS2 (0.44) | PTGS2NQO1 | |
| SCHEMBL30564389 | 0.67 | PTGS2 (0.39) | PTGS2NQO1 | |
| SCHEMBL4826668 | 0.63 | POLB (0.53) | LIPEALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| US-5403934-A | Heterocyclic compounds | BURROUGHS WELLCOME CO. (US) | 1995-04-04 | — | — | US | disclosed |
| WO-1991013873-A1 | HETEROCYCLIC COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-19 | — | — | WO | disclosed |
| EP-0447164-A1 | Heterocyclic compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-09-18 | — | — | EP | disclosed |