Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 8/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469832 | 0.80 | MEN1 (0.59) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL12470257 | 0.73 | ALDH1A1 (0.44) | MAPTRAB9AMEN1KMT2AKDM4E | |
| SCHEMBL21829001 | 0.69 | MAPT (0.70) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL21829009 | 0.68 | MAPT (0.68) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL21829027 | 0.64 | MAPT (1.00) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL21829017 | 0.64 | MAPT (0.67) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL29959525 | 0.64 | MAPT (1.00) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL21829008 | 0.64 | MAPT (0.67) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL21828975 | 0.64 | MAPT (0.70) | NPC1MAPTRAB9AMEN1KMT2A | |
| SCHEMBL21828973 | 0.64 | MAPT (0.70) | NPC1MAPTRAB9AMEN1KMT2A |
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-2012049555-A1 | SPIROCYCLIC COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNEL MODULATORS | LUPIN LIMITED (IN) | 2012-04-19 | — | — | WO | disclosed |