Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | KIF11 | P52732 | 7/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8375768 | 0.79 | TSHR (0.46) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| SCHEMBL11212708 | 0.76 | CYP2C19 (0.43) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL27486808 | 0.74 | CYP2C19 (0.41) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| SCHEMBL27491062 | 0.74 | TSHR (0.46) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| SCHEMBL28138628 | 0.74 | CYP2C19 (0.41) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| SCHEMBL28124931 | 0.74 | KCNN4 (0.46) | CYP1A2TDP1CYP2C19CYP2C9KIF11 | |
| SCHEMBL913229 | 0.73 | KIF11 (0.54) | CYP1A2TDP1CYP2C19CYP2C9KIF11 | |
| SCHEMBL11237111 | 0.73 | TSHR (0.50) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| SCHEMBL29097001 | 0.73 | TDP1 (0.40) | TSHRCYP1A2TDP1CYP2C19CYP2C9 | |
| SCHEMBL28531975 | 0.73 | TSHR (0.50) | TSHRCYP1A2TDP1CYP2C19CYP2C9 |
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-102216775-B | Susceptibility to HSP 90-inhibitors | MAX PLANCK GESELLSCHAFT | 2014-04-16 | — | — | CN | disclosed |
| CN-102216775-A | Susceptibility to HSP 90-inhibitors | MAX PLANCK GESELLSCHAFT | 2011-10-12 | — | — | CN | disclosed |