Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.58 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | VKORC1 | Q9BQB6 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085539 | 0.78 | CYP19A1 (0.59) | MAOBNPC1CYP19A1KDM4EALDH1A1 | |
| SCHEMBL31511411 | 0.78 | MAOB (0.67) | MAOBCA1CA2NPC1VKORC1 | |
| SCHEMBL11485562 | 0.75 | MAOB (1.00) | MAOBCA1CA2NPC1VKORC1 | |
| SCHEMBL8934551 | 0.72 | VKORC1 (0.66) | MAOBCA1CA2VKORC1CYP19A1 | |
| SCHEMBL28085675 | 0.72 | MAOB (0.65) | MAOBNPC1CYP19A1KDM4EALDH1A1 | |
| SCHEMBL5557246 | 0.71 | NPC1 (0.72) | MAOBNPC1CYP19A1KDM4EALDH1A1 | |
| SCHEMBL7117054 | 0.71 | MAOB (0.72) | MAOBCA1CA2NPC1VKORC1 | |
| SCHEMBL31511409 | 0.71 | MAOB (0.72) | MAOBCA1CA2NPC1VKORC1 | |
| SCHEMBL7463411 | 0.71 | MAOB (0.72) | MAOBCA1CA2NPC1VKORC1 | |
| SCHEMBL28143005 | 0.71 | MAOB (0.72) | MAOBCA1CA2NPC1VKORC1 |
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 |