Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 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 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3625504 | 0.88 | MAPT (0.40) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL13083261 | 0.88 | MAPT (0.36) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL7944203 | 0.85 | CTSS (0.40) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL13071433 | 0.80 | SMPD3 (0.46) | MAPTNPC1RAB9AKDM4ELMNA | |
| SCHEMBL10271218 | 0.79 | PDE10A (0.34) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL13637184 | 0.79 | CYP3A4 (0.39) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL883451 | 0.78 | CTSS (0.39) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL3427399 | 0.78 | CTSS (0.39) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL10271955 | 0.78 | MAPT (0.37) | MAPTNPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL13090548 | 0.78 | MAPT (0.40) | MAPTNPC1RAB9ASMN1; SMN2NFKB1 |
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-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |