Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.49 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | F10 | P00742 | 1/20 | 0.49 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.49 |
| ▸ | F7 | P08709 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 2/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | CASR | P41180 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.47 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686193 | 1.00 | CTSD (0.55) | CTSDNPC1PKMRAB9AMRGPRX1 | |
| SCHEMBL6690267 | 0.93 | CTSD (0.47) | CTSDNPC1PKMRAB9APPARD | |
| SCHEMBL6690272 | 0.93 | CTSD (0.47) | CTSDNPC1PKMRAB9APPARD | |
| SCHEMBL6686902 | 0.92 | NPC1 (0.58) | NPC1PKMRAB9AMRGPRX1F2 | |
| SCHEMBL6686899 | 0.92 | NPC1 (0.58) | NPC1PKMRAB9AMRGPRX1F2 | |
| SCHEMBL6687466 | 0.89 | CTSD (0.56) | CTSDNPC1PKMRAB9AMRGPRX1 | |
| SCHEMBL6687470 | 0.89 | CTSD (0.56) | CTSDNPC1PKMRAB9AMRGPRX1 | |
| SCHEMBL6685585 | 0.86 | ATM (0.49) | CTSDNPC1PKMRAB9APPARD | |
| SCHEMBL6685580 | 0.86 | ATM (0.49) | CTSDNPC1PKMRAB9APPARD | |
| SCHEMBL6687574 | 0.85 | MAOB (0.47) | CTSDNPC1PKMRAB9AKDM4E |
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 |