Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11316722 | 0.82 | TRPA1 (0.64) | TRPA1CYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL56556 | 0.78 | TRPA1 (1.00) | TRPA1CYP1A2ALDH1A1MAPTKDM4E | |
| SCHEMBL6348838 | 0.78 | TRPA1 (0.46) | TRPA1CYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL339841 | 0.78 | TRPA1 (0.73) | TRPA1CYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL30290839 | 0.78 | TRPA1 (1.00) | TRPA1CYP1A2ALDH1A1MAPTKDM4E | |
| Catechol SCHEMBL9474502 | 0.77 | TRPA1 (0.86) | TRPA1CYP1A2CYP2A6ALDH1A1MAPT | |
| Catechol SCHEMBL27772538 | 0.77 | TRPA1 (0.86) | TRPA1CYP1A2CYP2A6ALDH1A1MAPT | |
| SCHEMBL9290861 | 0.77 | GABRA1 (0.58) | TRPA1CYP1A2ALDH1A1MAPTKDM4E | |
| SCHEMBL31260380 | 0.77 | CYP2C9 (0.48) | TRPA1ALDH1A1MAPTKDM4EGAA | |
| SCHEMBL9170762 | 0.74 | TRPA1 (0.43) | TRPA1CYP1A2CYP2A6ALDH1A1MAPT |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5011938-A | Antimicrobials | ELI LILLY AND COMPANY (US) | 1991-04-30 | — | — | US | disclosed |
| US-4940718-A | BACTERICIDES | ELI LILLY AND COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| US-4902707-A | Bicyclic pyrazolidinones, compositions and use | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |
| US-4795815-A | BACTERICIDES, MICROBIOCIDES | ELI LILLY AND COMPANY (US) | 1989-01-03 | — | — | US | disclosed |
| US-4734504-A | 1-alkylated diazolidinones | ELI LILLY AND COMPANY (US) | 1988-03-29 | — | — | US | disclosed |
| US-4734505-A | 1-(alkylated)-2-(acylated)diazolidinones | ELI LILLY AND COMPANY (US) | 1988-03-29 | — | — | US | disclosed |
| US-4716232-A | 1-(vinyl phosphonate adduct) pyrazolidinones | ELI LILLY AND COMPANY (US) | 1987-12-29 | — | — | US | disclosed |
| EP-0203723-A1 | 2,3-(dihydro)bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-12-03 | — | — | EP | disclosed |
| EP-0203722-A1 | Bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-12-03 | — | — | EP | disclosed |
| EP-0202794-A1 | 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-26 | — | — | EP | disclosed |
| EP-0202046-A1 | 7-Substituted bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-11-20 | — | — | EP | disclosed |