Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3621303 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL703196 | 0.77 | TSHR (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL17885872 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL1514215 | 0.77 | MAPK1 (0.50) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL13554 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL23525262 | 0.77 | TSHR (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL6342232 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL1244641 | 0.77 | KCNN4 (0.50) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL295112 | 0.77 | MAPK1 (0.50) | ALDH1A1TSHRMAPK1TAAR1ALOX15 | |
| SCHEMBL9516748 | 0.77 | MAPK1 (0.50) | ALDH1A1TSHRMAPK1TAAR1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1240677-C | Monofluoroalkyl derivatives | LILLY CO ELI (US) | 2006-02-08 | — | — | CN | claimed |
| CN-1349497-A | Monofluoroalkyl derivatives | LILLY CO ELI (US) | 2002-05-15 | — | — | CN | claimed |
| CN-1240677-C | Monofluoroalkyl derivatives | LILLY CO ELI (US) | 2006-02-08 | — | — | CN | disclosed |
| EP-0828739-B1 | BICYCLIC AMINES AS INSECTICIDES | SYNGENTA LTD (GB) | 2002-09-11 | — | — | EP | disclosed |
| CN-1349497-A | Monofluoroalkyl derivatives | LILLY CO ELI (US) | 2002-05-15 | — | — | CN | disclosed |
| US-6207676-B1 | Bicyclic amines | ZENECA LIMITED (GB) | 2001-03-27 | — | — | US | disclosed |