Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538481 | 0.94 | HMGCR (0.43) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| SCHEMBL5320897 | 0.87 | KDM4E (0.48) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| SCHEMBL16374685 | 0.82 | ALDH1A1 (0.45) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| SCHEMBL9539930 | 0.80 | MEN1 (0.34) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| Bicarbonate SCHEMBL4357750 | 0.79 | MEN1 (0.42) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| Hydrochloric Acid SCHEMBL27533813 | 0.79 | KDM4E (0.48) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| Citric Acid SCHEMBL6727157 | 0.79 | ALDH1A1 (0.65) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| SCHEMBL16838734 | 0.78 | ALDH1A1 (0.40) | ALDH1A1MEN1CYP1A2THRBKMT2A | |
| SCHEMBL5664856 | 0.78 | — | — | |
| SCHEMBL6234394 | 0.78 | CYP1A2 (0.33) | ALDH1A1MEN1CYP1A2THRBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999015694-A1 | COREACTANT-INCLUDING ELECTROCHEMILUMINESCENT COMPOUNDS, METHODS, SYSTEMS AND KITS UTILIZING SAME | IGEN INTERNATIONAL, INC. (US) | 1999-04-01 | — | — | WO | disclosed |
| US-4217238-A | BASIC SALT, SCRUBBING | EXXON RESEARCH & ENGINEERING CO. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4094957-A | CARBON DIOXIDE | EXXON RESEARCH & ENGINEERING CO. (US) | 1978-06-13 | — | — | US | disclosed |