Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600037 | 0.81 | ESR1 (0.50) | ESR1HSD11B1THRATHRBCA2 | |
| SCHEMBL18923481 | 0.80 | CA2 (0.40) | ALDH1A1HSD17B10TDP1CA2SLC6A2 | |
| SCHEMBL18701019 | 0.79 | ALDH1A1 (0.55) | ESR1HSD11B1ALDH1A1HSD17B10THRA | |
| SCHEMBL1415708 | 0.79 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TDP1CA2CA1 | |
| SCHEMBL11100709 | 0.79 | ESR1 (0.54) | ESR1HSD11B1ALDH1A1TDP1THRA | |
| SCHEMBL12315287 | 0.79 | PSIP1 (0.59) | ESR1HSD11B1ALDH1A1THRATHRB | |
| SCHEMBL8338766 | 0.79 | CA2 (0.61) | TDP1CA2CA1CA12CA9 | |
| SCHEMBL6685103 | 0.76 | ESR1 (0.74) | ESR1HSD11B1ALDH1A1TDP1THRA | |
| SCHEMBL9969450 | 0.76 | ALDH1A1 (0.58) | ESR1HSD11B1ALDH1A1TDP1CA2 | |
| SCHEMBL22147220 | 0.76 | HTR6 (0.55) | ESR1HSD11B1ALDH1A1HTR2APSIP1 |
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-5292740-A | Sulfonamides | HOFFMANN-LA ROCHE INC. (US) | 1994-03-08 | — | — | US | disclosed |