Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.57 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 5/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL14423637 | 0.82 | LTA4H (0.48) | LTA4HALDH1A1LMNATSHRCA1 | |
| SCHEMBL1132385 | 0.79 | ALDH1A1 (0.39) | TRPA1CA4ALDH1A1CYP2A6LMNA | |
| SCHEMBL9538596 | 0.78 | LMNA (0.42) | ALDH1A1CYP2A6CYP3A4LMNATSHR | |
| SCHEMBL9539397 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP3A4LMNATP53CA1 | |
| SCHEMBL11707690 | 0.74 | TSHR (0.56) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL24193844 | 0.74 | ESR1 (0.50) | CA4ALDH1A1G6PC1CYP3A4RELA | |
| SCHEMBL14269409 | 0.74 | ALDH1A1 (0.42) | TRPA1ALDH1A1CYP2A6LMNACYP1B1 | |
| SCHEMBL9541503 | 0.74 | TSHR (0.42) | CYP2A6G6PC1LMNATSHRNFE2L2 | |
| SCHEMBL9541494 | 0.74 | NFE2L2 (0.52) | ALDH1A1TSHRRELANFKB1NFKB2 | |
| SCHEMBL9538770 | 0.73 | TRPV1 (0.41) | LMNATSHRCA1CA2CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1104405-B1 | NEAR INFRARED CHEMILUMINESCENT ACRIDINIUM COMPOUNDS AND USES THEREOF | SIEMENS HEALTHCARE DIAGNOSTICS (US) | 2009-02-18 | — | — | EP | disclosed |
| EP-0311955-B1 | BICYCLIC PEROXIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-5134240-A | Malaria therapy | HOFFMANN-LAROCHE, INC. (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977184-A | Bicyclic peroxides compositions for and treatment of malaria therewith | HOFFMANN-LA ROCHE INC. (US) | 1990-12-11 | — | — | US | disclosed |
| EP-0311955-A2 | Bicyclic peroxide | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-19 | — | — | EP | disclosed |
| US-4065620-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1977-12-27 | — | — | US | disclosed |