Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.69 |
| ▸ | RAB9A | P51151 | 7/20 | 0.69 |
| ▸ | CTNNB1 | P35222 | 5/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TP53 | P04637 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | WNT3A | P56704 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL6159335 | 0.82 | MAPT (0.65) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL2393677 | 0.81 | NPC1 (0.65) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL2394568 | 0.81 | NPC1 (0.62) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL2394571 | 0.81 | NPC1 (0.62) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL6160806 | 0.79 | MAPT (0.50) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| Dalosirvat SCHEMBL653870 | 0.79 | CTNNB1 (1.00) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL10027735 | 0.79 | CTNNB1 (0.82) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL4828375 | 0.78 | NPC1 (0.70) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL7042387 | 0.78 | RAB9A (0.55) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 | |
| SCHEMBL11539552 | 0.77 | CTNNB1 (0.61) | NPC1RAB9ACTNNB1KDM4ESMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8012901-B1 | Method of synthesizing enantiopure mexiletine analogues and novel β-thiophenoxy and pyridyl ethers | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-09-06 | — | — | US | disclosed |