Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.52 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832577 | 0.81 | ESR1 (0.65) | MAOBESR1ALDH1A1HPGDRAB9A | |
| SCHEMBL28085701 | 0.79 | MAOB (0.56) | MAOBESR1ALDH1A1HPGDRAB9A | |
| SCHEMBL28085659 | 0.77 | ESR1 (0.58) | MAOBESR1ALDH1A1HPGDRAB9A | |
| SCHEMBL12155693 | 0.77 | MAOB (0.55) | MAOBCA1CA2POLBABCG2 | |
| SCHEMBL28085545 | 0.76 | MAOB (0.58) | MAOBESR1ALDH1A1HPGDRAB9A | |
| SCHEMBL28085658 | 0.73 | MAOB (0.54) | MAOBESR1ALDH1A1HPGDRAB9A | |
| SCHEMBL9069757 | 0.71 | APP (0.71) | KDRALDH1A1RAB9AMAPTAKR1C3 | |
| SCHEMBL7117054 | 0.70 | MAOB (0.72) | MAOBALDH1A1HPGDRAB9AMAPT | |
| SCHEMBL7463411 | 0.70 | MAOB (0.72) | MAOBALDH1A1HPGDRAB9AMAPT | |
| SCHEMBL31511409 | 0.70 | MAOB (0.72) | MAOBALDH1A1HPGDRAB9AMAPT |
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 |