Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | WRN | Q14191 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.33 |
| ▸ | SI | P14410 | 1/20 | 0.33 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2979208 | 0.93 | ALDH1A1 (0.52) | ALDH1A1LMNAHSD17B10NAAATSHR | |
| SCHEMBL9313077 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| SCHEMBL681192 | 0.82 | NAAA (0.52) | ALDH1A1LMNAHSD17B10NAAATSHR | |
| SCHEMBL2609254 | 0.79 | THRB (0.50) | ALDH1A1LMNAHSD17B10NAAATSHR | |
| Methane SCHEMBL6300031 | 0.79 | NAAA (0.50) | ALDH1A1LMNAHSD17B10NAAACYP1A2 | |
| SCHEMBL322669 | 0.79 | — | — | |
| SCHEMBL28063807 | 0.77 | ALDH1A1 (0.42) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| SCHEMBL2178036 | 0.77 | ALDH1A1 (0.46) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Ammonia Solution, Strong SCHEMBL28155621 | 0.76 | ALDH1A1 (0.56) | ALDH1A1LMNAHSD17B10TSHRTDP1 | |
| Ethyl Propionate SCHEMBL9211473 | 0.75 | ALDH1A1 (0.74) | ALDH1A1LMNAHSD17B10NAAATSHR |
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-6177587-B1 | INTERMEDIATES FOR THE PRODUCTION OF MEDICINES; REACTING A MIXTURE CONTAINING A MONO-HALOGENO COMPOUND OR A DI-HALOGENO COMPOUND WITH AN AMIDO NITROBENZENE DERIVATIVE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-23 | — | — | US | disclosed |