Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | MAOB | P27338 | 8/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 4/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.50 |
| ▸ | MAOA | P21397 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085534 | 0.86 | ESR1 (0.57) | MAOBACHEESR1CYP19A1MAOA | |
| SCHEMBL28085701 | 0.85 | MAOB (0.56) | KDM4EALDH1A1HPGDSMN1; SMN2MAOB | |
| SCHEMBL28085538 | 0.83 | ESR1 (0.54) | KDM4EALDH1A1SMN1; SMN2MAOBACHE | |
| SCHEMBL28085675 | 0.79 | MAOB (0.65) | KDM4EALDH1A1SMN1; SMN2MAOBACHE | |
| SCHEMBL28085539 | 0.75 | CYP19A1 (0.59) | KDM4EALDH1A1HPGDSMN1; SMN2MAOB | |
| SCHEMBL28085548 | 0.72 | ESR1 (0.73) | KDM4EALDH1A1SMN1; SMN2ESR1 | |
| SCHEMBL26779874 | 0.72 | MAOB (0.79) | KDM4EALDH1A1MAOBACHEMAOA | |
| SCHEMBL30667382 | 0.72 | ABCG2 (0.58) | KDM4EALDH1A1HPGDSMN1; SMN2MAOB | |
| SCHEMBL6823769 | 0.71 | MAOB (0.53) | KDM4EALDH1A1HPGDMAOBACHE | |
| SCHEMBL28085659 | 0.71 | ESR1 (0.58) | KDM4EALDH1A1HPGDMAOBESR1 |
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-105801544-A | 3-aryl-4-arylamine-coumarin derivative and preparing method and medical application thereof | 中国药科大学 | 2016-07-27 | — | — | CN | disclosed |