Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | MGAM | O43451 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | SI | P14410 | 1/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.37 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL830570 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL6842378 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL8031050 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL3310000 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL6439765 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL3307229 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL15020058 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL6439648 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL832069 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 | |
| Ethyl Acetate SCHEMBL48804 | 1.00 | ALDH1A1 (0.64) | ALDH1A1LMNAHSD17B10TSHRPTPN1 |
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-6225320-B1 | TREATMENT OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTTHERPETIC NEURALGIA | MERCK SHARP & DOHME LTD. (GB) | 2001-05-01 | — | — | US | disclosed |