Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MAOB | P27338 | 5/20 | 0.53 |
| ▸ | MAOA | P21397 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL2908749 | 0.91 | NPC1 (0.53) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12998999 | 0.84 | NPC1 (0.52) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3764993 | 0.84 | NPC1 (0.65) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2901871 | 0.84 | NPC1 (0.56) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2908929 | 0.82 | NPC1 (0.57) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3766516 | 0.82 | RXRA (0.65) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12998998 | 0.82 | MAOB (0.53) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2908969 | 0.81 | NPC1 (0.53) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12998993 | 0.81 | NPC1 (0.56) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL2906300 | 0.81 | MAOB (0.51) | NPC1RAB9ACYP1A2CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2220029-A1 | NOVEL COMPOUNDS | Glaxo Group Limited (GB) | 2010-08-25 | — | — | EP | claimed |
| WO-2009056582-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2009-05-07 | — | — | WO | claimed |
| EP-2220029-A1 | NOVEL COMPOUNDS | Glaxo Group Limited (GB) | 2010-08-25 | — | — | EP | disclosed |
| WO-2009056582-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2009-05-07 | — | — | WO | disclosed |