Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FGFR1 | P11362 | 1/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.44 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.44 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.44 |
| ▸ | TOP1 | P11387 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | USP7 | Q93009 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31520474 | 1.00 | FGFR1 (0.51) | FGFR1SRCNPC1MEN1RAB9A | |
| SCHEMBL28281475 | 0.85 | NPC1 (0.60) | FGFR1NPC1MEN1RAB9AKMT2A | |
| SCHEMBL361776 | 0.81 | AKT1 (0.49) | NPC1MEN1KMT2ATOP1ADORA2A | |
| SCHEMBL5306884 | 0.79 | TOP1 (0.42) | NPC1MEN1KMT2ATOP1 | |
| SCHEMBL28280373 | 0.76 | FGFR1 (0.55) | FGFR1SRCNPC1MEN1RAB9A | |
| SCHEMBL6004191 | 0.76 | DHODH (0.41) | NPC1MEN1KMT2ADHFRADORA2A | |
| SCHEMBL1932596 | 0.76 | CASP6 (0.47) | NPC1MEN1RAB9AKMT2A | |
| SCHEMBL10692074 | 0.75 | PDE5A (0.50) | MEN1KMT2AMAP4K4DHFR | |
| SCHEMBL8137827 | 0.75 | FGFR1 (0.63) | FGFR1SRCKMT2ADHFRADORA2A | |
| SCHEMBL8574353 | 0.74 | KMT2A (0.74) | FGFR1SRCNPC1MEN1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109336929-A | A kind of asymmetric P^N^P type ligand and preparation method thereof based on 2- amino tetrahydronaphthalenand pyridine | 华南理工大学 | 2019-02-15 | — | — | CN | claimed |
| CN-109336929-A | A kind of asymmetric P^N^P type ligand and preparation method thereof based on 2- amino tetrahydronaphthalenand pyridine | 华南理工大学 | 2019-02-15 | — | — | CN | disclosed |
| CN-109336929-A | A kind of asymmetric P^N^P type ligand and preparation method thereof based on 2- amino tetrahydronaphthalenand pyridine | 华南理工大学 | 2019-02-15 | — | — | CN | disclosed |