Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28017991 | 0.78 | S1PR1 (0.37) | ALDH1A1CYP3A4HTTSMN1; SMN2CA1 | |
| SCHEMBL27933954 | 0.78 | RAB9A (0.52) | ALDH1A1CYP3A4CYP1A2HTTSMN1; SMN2 | |
| SCHEMBL658771 | 0.75 | RPS6KB1 (0.47) | RPS6KB1ALDH1A1CYP3A4CYP1A2HTT | |
| SCHEMBL28017437 | 0.75 | RPS6KB1 (0.41) | RPS6KB1ALDH1A1CYP3A4CYP1A2HTT | |
| SCHEMBL3192146 | 0.68 | ERN1 (0.48) | ALDH1A1CYP3A4CYP1A2ERN1SMN1; SMN2 | |
| SCHEMBL24669730 | 0.66 | RPS6KB1 (0.42) | RPS6KB1ALDH1A1CYP3A4CYP1A2SMN1; SMN2 | |
| SCHEMBL27882221 | 0.65 | ALDH1A1 (0.77) | ALDH1A1CYP3A4CYP1A2ERN1ACHE | |
| Difucol Hexamethyl Ether SCHEMBL505203 | 0.64 | CYP1A2 (0.60) | ALDH1A1CYP3A4CYP1A2ERN1SMN1; SMN2 | |
| SCHEMBL28017996 | 0.64 | ALDH1A1 (0.37) | ALDH1A1CYP3A4CYP1A2HTTERN1 | |
| SCHEMBL656828 | 0.64 | ALDH1A1 (0.61) | RPS6KB1ALDH1A1SMN1; SMN2LMNAHPGD |
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-102438988-B | Resorcinol derivatives as hsp90 inhibitors | NERVIANO MEDICAL SCIENCES SRL | 2015-06-24 | — | — | CN | disclosed |