Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RHOA | P61586 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PTP4A3 | O75365 | 2/20 | 0.30 |
| ▸ | PTP4A1 | Q93096 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | PTP4A2 | Q12974 | 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 | |
|---|---|---|---|---|
| SCHEMBL351308 | 0.85 | TDP1 (0.33) | TSHRCYP3A4TDP1 | |
| SCHEMBL9286079 | 0.79 | CYP3A4 (0.37) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL1761289 | 0.79 | CYP3A4 (0.37) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL177943 | 0.77 | CYP3A4 (0.48) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL194466 | 0.76 | TSHR (0.42) | TSHRCYP3A4TDP1MAPTCACNA1B | |
| SCHEMBL22017 | 0.76 | — | — | |
| SCHEMBL8921614 | 0.76 | — | — | |
| SCHEMBL6269152 | 0.76 | — | — | |
| SCHEMBL4823985 | 0.76 | — | — | |
| SCHEMBL1057516 | 0.76 | TSHR (0.50) | TSHRCYP3A4TDP1MAPTCACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| CN-101300240-A | 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3h)-one-derivatives as beta 2 adrenoceptor agonists | ASTRAZENECA AB (SE) | 2008-11-05 | — | — | CN | disclosed |