Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CDC25A | P30304 | 5/20 | 0.33 |
| ▸ | CDC25B | P30305 | 5/20 | 0.33 |
| ▸ | CDC25C | P30307 | 4/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hexadecane SCHEMBL21433653 | 0.95 | TSHR (0.58) | TSHRCYP1A2ALDH1A1SIRT2THRB | |
| SCHEMBL19172083 | 0.95 | TSHR (0.58) | TSHRCYP1A2ALDH1A1SIRT2THRB | |
| Decane SCHEMBL21433652 | 0.95 | TSHR (0.58) | TSHRCYP1A2ALDH1A1SIRT2THRB | |
| Dodecane SCHEMBL10535874 | 0.95 | TSHR (0.58) | TSHRCYP1A2ALDH1A1SIRT2THRB | |
| SCHEMBL28113536 | 0.86 | TSHR (0.50) | TSHRCYP1A2ALDH1A1SIRT2TP53 | |
| Butane SCHEMBL10624113 | 0.86 | TSHR (0.69) | TSHRCYP1A2ALDH1A1TP53 | |
| Dodecanol SCHEMBL10346359 | 0.84 | LMNA (0.54) | TSHRCYP1A2ALDH1A1SIRT2PRKCA | |
| Butyl Alcohol SCHEMBL10545495 | 0.83 | TSHR (0.50) | TSHRCYP1A2ALDH1A1SIRT2TP53 | |
| SCHEMBL9866584 | 0.81 | TSHR (0.48) | TSHRCYP1A2ALDH1A1GAA | |
| Ammonia Solution, Strong SCHEMBL1484118 | 0.80 | — | — |
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-5747352-A | Reagents and methods for the rapid and quantitative assay of pharmacological agents | BECKMAN INSTRUMENTS, INC. (US) | 1998-05-05 | — | — | US | disclosed |
| EP-0710361-A1 | REAGENTS AND METHODS FOR THE RAPID AND QUANTITATIVE ASSAY OF PHARMACOLOGICAL AGENTS | BECKMAN INSTRUMENTS, INC. (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995032428-A1 | REAGENTS AND METHODS FOR THE RAPID AND QUANTITATIVE ASSAY OF PHARMACOLOGICAL AGENTS | BECKMAN INSTRUMENTS, INC. (US) | 1995-11-30 | — | — | WO | disclosed |