Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.73 |
| ▸ | NPC1 | O15118 | 2/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.49 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085670 | 0.88 | ESR1 (0.73) | ESR1NPC1MAPTMEN1TNKS | |
| SCHEMBL28085534 | 0.87 | ESR1 (0.57) | ESR1 | |
| SCHEMBL28085659 | 0.86 | ESR1 (0.58) | ESR1MAPTCYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL28085726 | 0.84 | NPC1 (0.64) | ESR1NPC1MAPTMEN1TNKS | |
| SCHEMBL5557246 | 0.78 | NPC1 (0.72) | ESR1NPC1MAPTMEN1TNKS | |
| SCHEMBL5427914 | 0.77 | NPC1 (1.00) | ESR1NPC1MAPTMEN1TNKS | |
| SCHEMBL28085538 | 0.76 | ESR1 (0.54) | ESR1NPC1MAPTMEN1KMT2A | |
| SCHEMBL6690691 | 0.74 | ALDH1A1 (0.75) | NPC1MAPTMEN1CYP2C9CYP2C19 | |
| SCHEMBL5084963 | 0.74 | NPC1 (0.73) | ESR1NPC1MAPTMEN1TNKS | |
| SCHEMBL28832577 | 0.73 | ESR1 (0.65) | ESR1MAPTMEN1TP53KMT2A |
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 |