Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1354 | 0.82 | CA1 (0.46) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL1133802 | 0.80 | ALDH1A1 (0.44) | RAB9AMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL4671825 | 0.79 | CHRNA7 (0.37) | MEN1KMT2AACHEALDH1A1TSHR | |
| SCHEMBL27868795 | 0.79 | CHRNA7 (0.37) | MEN1KMT2AACHEALDH1A1TSHR | |
| SCHEMBL27822368 | 0.78 | CA1 (0.42) | RAB9AMEN1KMT2ACA1CA2 | |
| SCHEMBL7749051 | 0.78 | AOC3 (0.45) | ACHEL3MBTL1 | |
| SCHEMBL2794041 | 0.78 | IDO1 (0.39) | ALDH1A1TDP1GAASMN1; SMN2 | |
| SCHEMBL6141156 | 0.78 | ADRB2 (0.45) | MEN1KMT2AALDH1A1TSHRMAPK1 | |
| SCHEMBL96935 | 0.77 | HCAR2 (0.43) | KMT2AALDH1A1ALOX5MIF | |
| SCHEMBL16970750 | 0.77 | HCAR2 (0.43) | KMT2AALDH1A1ALOX5MIF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0861233-A1 | N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES | G.D. SEARLE & CO. (US) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018190-A1 | N-PROTECTED/N-SUBSTITUTED-BETA-AMINO HYDROXY SULFONATES | G.D. SEARLE & CO. (US) | 1997-05-22 | — | — | WO | disclosed |