Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 2/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.53 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.40 |
| ▸ | F7 | P08709 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6685506 | 1.00 | PDCD1 (0.53) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6693062 | 0.89 | MAOB (0.45) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6693067 | 0.89 | MAOB (0.45) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6690103 | 0.87 | ATM (0.47) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6690101 | 0.87 | ATM (0.47) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6694003 | 0.84 | BCHE (0.44) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6694007 | 0.84 | BCHE (0.44) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6689557 | 0.83 | FFAR4 (0.41) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6689560 | 0.83 | FFAR4 (0.41) | PDCD1CD274FFAR4NPC1PKM | |
| SCHEMBL6685289 | 0.83 | FFAR4 (0.43) | PDCD1CD274FFAR4NPC1PKM |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004087125-A1 | AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS | IONIX PHARMACEUTICALS LIMITED (GB) | 2004-10-14 | — | — | WO | disclosed |