Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1516646 | 0.94 | GPR84 (0.45) | GPR84PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL9674964 | 0.83 | GPR84 (0.43) | GPR84PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL6567210 | 0.81 | GPR84 (0.42) | GPR84PTGS1PTGS2LMNACYP2C9 | |
| Propionaldehyde SCHEMBL4619414 | 0.81 | TYR (0.44) | LMNAEPHX1ALDH1A1 | |
| SCHEMBL21176913 | 0.79 | TSHR (0.37) | GPR84PTGS1PTGS2LMNACYP2C9 | |
| Isobutylbenzene SCHEMBL28202539 | 0.79 | TAAR1 (0.53) | PTGS1PTGS2LMNACYP2C9AKR1C3 | |
| SCHEMBL22125073 | 0.78 | TRPA1 (0.38) | GPR84PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL9671868 | 0.77 | HIF1A (0.37) | LMNAESR1ALDH1A1 | |
| SCHEMBL27298726 | 0.76 | GABRA1 (0.37) | GPR84HTR2ACHRM1 | |
| Dihydrocinnamaldehyde SCHEMBL8109306 | 0.76 | ADH1B (0.43) | ALDH1A1CHRM1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4694100-A | CATALYTIC CRACKING OF 1,1-BIS(P-ISOBUTYLPHENYL) ETHYLENE, THEN CARBONYLATION | NIPPON PETROCHEMICALS COMPANY, LTD. (JP) | 1987-09-15 | — | — | US | disclosed |