Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.42 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | SI | P14410 | 1/20 | 0.41 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7653065 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2A6PTGER4ALDH1A1HSD17B1 | |
| SCHEMBL21203580 | 0.79 | KDM4E (0.51) | CYP1A2PTGER4PTGER2MAP4K4ALDH1A1 | |
| SCHEMBL18053304 | 0.79 | PGR (0.47) | CYP1A2ESR2PTGER4PTGER2MAP4K4 | |
| SCHEMBL20466512 | 0.79 | MAP4K4 (0.55) | CYP1A2CYP2A6ESR2MAP4K4ALDH1A1 | |
| SCHEMBL31539909 | 0.78 | FADS1 (0.45) | CYP1A2PTGER4PTGER2MAP4K4ALDH1A1 | |
| SCHEMBL23253445 | 0.77 | TP53 (0.48) | CYP1A2CYP2A6ALDH1A1HSD17B1HSD17B2 | |
| SCHEMBL28995052 | 0.77 | ADORA1 (0.43) | CYP1A2CYP2A6ESR2ALDH1A1KDM4E | |
| SCHEMBL13241113 | 0.77 | CYP1A2 (0.50) | CYP1A2CYP2A6ALDH1A1HSD17B1HSD17B2 | |
| SCHEMBL6416996 | 0.75 | CYP1A2 (0.61) | CYP1A2CYP2A6ALDH1A1KDM4EGAA | |
| SCHEMBL28996482 | 0.75 | CYP1A2 (0.46) | CYP1A2CYP2A6ESR2PTGER4PTGER2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015094912-A1 | DIMETHYLBENZOIC ACID COMPOUNDS | ELI LILLY AND COMPANY (US) | 2015-06-25 | — | — | WO | disclosed |