Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.59 |
| ▸ | MAOB | P27338 | 10/20 | 0.55 |
| ▸ | ACHE | P22303 | 4/20 | 0.55 |
| ▸ | MAOA | P21397 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.49 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.49 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085675 | 0.83 | MAOB (0.65) | CYP19A1MAOBACHEMAOATDP1 | |
| SCHEMBL28085655 | 0.78 | MAOB (0.58) | CYP19A1MAOBMAOANPC1RAB9A | |
| SCHEMBL8934549 | 0.78 | CA1 (0.64) | CYP19A1MAOBMAOANPC1RAB9A | |
| SCHEMBL28085534 | 0.77 | ESR1 (0.57) | CYP19A1MAOBACHEMAOAESR1 | |
| SCHEMBL8934606 | 0.76 | CYP19A1 (0.80) | CYP19A1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL15832754 | 0.76 | MAOB (0.60) | MAOBACHEMAOATDP1NPC1 | |
| SCHEMBL26779874 | 0.75 | MAOB (0.79) | MAOBACHEMAOATDP1NPC1 | |
| SCHEMBL30629188 | 0.75 | MAOB (0.79) | MAOBACHEMAOATDP1NPC1 | |
| SCHEMBL26768570 | 0.75 | MAOB (0.79) | MAOBACHEMAOATDP1NPC1 | |
| SCHEMBL28085547 | 0.75 | KDM4E (0.58) | CYP19A1MAOBACHEMAOATDP1 |
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 |