Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL706938 | 0.82 | NR1H2 (0.30) | — | |
| SCHEMBL8365456 | 0.78 | ALDH1A1 (0.50) | ALDH1A1TSHRHDAC8TDP1TAS1R3 | |
| SCHEMBL899595 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRHDAC8TDP1 | |
| SCHEMBL4601562 | 0.76 | ALDH1A1 (0.52) | ALDH1A1TSHRHDAC8TDP1 | |
| SCHEMBL9636010 | 0.75 | ALDH1A1 (0.58) | ALDH1A1TSHRHDAC8TDP1 | |
| SCHEMBL2167411 | 0.75 | ALDH1A1 (0.58) | ALDH1A1TSHRHDAC8TDP1 | |
| SCHEMBL14062446 | 0.73 | ACHE (0.40) | ALDH1A1TDP1 | |
| SCHEMBL810409 | 0.71 | ALDH1A1 (0.52) | ALDH1A1TSHRHDAC8TDP1TAS1R3 | |
| SCHEMBL2167277 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHRHDAC8TDP1TAS1R3 | |
| SCHEMBL5491075 | 0.71 | ALDH1A1 (0.46) | ALDH1A1TSHRHDAC8TDP1TAS1R3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7592392-B2 | Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry | MERCK & CO. INC. (US) | 2009-09-22 | — | — | US | disclosed |
| US-20060189764-A1 | Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry | MERCK SHARP & DOHME CORP. | 2006-08-24 | — | — | US | disclosed |
| WO-2000078740-A1 | SOLID-SUPPORTED INITIATORS AND FUNCTIONAL POLYMERS FOR USE IN ORGANIC SYNTHESIS AND COMBINATORIAL CHEMISTRY | WARNER-LAMBERT COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |