Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | CTSZ | Q9UBR2 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3751611 | 0.86 | POLB (0.42) | TSHRCTNNB1HPGDKDM4EATM | |
| SCHEMBL13081422 | 0.80 | TSHR (0.41) | TSHRCTNNB1HPGDRECQLWNT3A | |
| SCHEMBL7453623 | 0.64 | TSHR (0.54) | TSHRCTNNB1HPGDRECQLKDM4E | |
| SCHEMBL2496047 | 0.62 | TSHR (0.72) | TSHRCTNNB1HPGDRECQLWNT3A | |
| SCHEMBL16071127 | 0.62 | TSHR (0.56) | TSHRCTNNB1HPGDRECQLWNT3A | |
| SCHEMBL28530741 | 0.62 | TSHR (0.61) | TSHRCTNNB1HPGDRECQLKDM4E | |
| SCHEMBL4824992 | 0.62 | NPSR1 (0.74) | TSHRCTNNB1HPGDRECQLWNT3A | |
| Formaldehyde SCHEMBL27289523 | 0.61 | MAPK1 (0.72) | TSHRCTNNB1HPGDRECQLKDM4E | |
| SCHEMBL619634 | 0.61 | MAPK1 (0.78) | TSHRCTNNB1HPGDRECQLKDM4E | |
| SCHEMBL16795707 | 0.60 | TSHR (0.53) | TSHRCTNNB1HPGDRECQLWNT3A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101052638-B | As α24- (condensed cyclomethyl) -imidazole-2-thiones as adrenergic agonists | ALLERGAN INC | 2011-01-19 | — | — | CN | disclosed |
| CN-101052638-A | As α24- (condensed cyclomethyl) adrenergic agonists-imidazole-2-thiones | ALLERGAN INC (US) | 2007-10-10 | — | — | CN | disclosed |