Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | RAPGEF4 | Q8WZA2 | 6/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | SELL | P14151 | 1/20 | 0.32 |
| ▸ | SELP | P16109 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL170788 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL1642052 | 0.90 | TSHR (0.57) | TSHRRAPGEF4CYP3A4TP53ALDH1A1 | |
| Ethylene SCHEMBL28314914 | 0.87 | TSHR (0.53) | TSHRRAPGEF4CYP3A4TP53ALDH1A1 | |
| SCHEMBL147796 | 0.86 | — | — | |
| Bromide SCHEMBL30994910 | 0.83 | TSHR (0.47) | TSHRRAPGEF4CYP3A4TP53ALDH1A1 | |
| SCHEMBL28097444 | 0.83 | TSHR (0.47) | TSHRRAPGEF4CYP3A4TP53ALDH1A1 | |
| 1,3,5-Trichlorobenzene SCHEMBL27944929 | 0.82 | TSHR (0.80) | TSHRCYP3A4TP53ALDH1A1TPMT | |
| SCHEMBL13538918 | 0.81 | TSHR (0.47) | TSHRRAPGEF4CYP3A4TP53SMN1; SMN2 | |
| SCHEMBL788179 | 0.79 | TSHR (0.44) | TSHRRAPGEF4CYP3A4TP53ALDH1A1 | |
| SCHEMBL5424151 | 0.75 | ALDH1A1 (0.43) | TSHRRAPGEF4CYP3A4TP53ALDH1A1 |
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-103483263-B | Arylpyrrol-2-yl cyanoethylamino compounds, process for their preparation and their use | MERIAL LTD. (US) | 2016-04-13 | — | — | CN | disclosed |