Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | KAT2B | Q92831 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | GRK6 | P43250 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL27872705 | 0.85 | TSHR (0.60) | TSHRCYP3A4KAT2BMAPTALDH1A1 | |
| SCHEMBL978709 | 0.83 | TSHR (0.62) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL9081742 | 0.81 | TSHR (0.60) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL28837008 | 0.81 | TSHR (0.60) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL2974822 | 0.79 | CYP3A4 (0.60) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL981242 | 0.79 | KAT2B (0.64) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL27958762 | 0.78 | TSHR (0.58) | TSHRMAPTALDH1A1 | |
| SCHEMBL22535975 | 0.77 | CYP3A4 (0.55) | TSHRCYP3A4KAT2BMAPTKMT2A | |
| SCHEMBL31527665 | 0.77 | TSHR (0.55) | TSHRCYP3A4KAT2BMAPTGRK6 | |
| SCHEMBL7466967 | 0.77 | KAT2B (0.71) | TSHRCYP3A4KAT2BMAPTGRK6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2321296-A1 | SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF | Bayer Schering Pharma Aktiengesellschaft (DE) | 2011-05-18 | — | — | EP | disclosed |
| EP-2049481-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SmithKline Beecham Corporation (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008021851-A2 | NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-02-21 | — | — | WO | disclosed |