Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 8/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13076244 | 0.99 | NPC1 (0.43) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL13076261 | 0.91 | GRM5 (0.41) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL13076379 | 0.91 | GRM5 (0.45) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL3795318 | 0.87 | PTGES (0.45) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL3797930 | 0.86 | PTGES (0.46) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL13076233 | 0.81 | RAB9A (0.43) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL13076382 | 0.80 | HTT (0.42) | NPC1RAB9AALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL3796009 | 0.78 | PTGES (0.44) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL3803620 | 0.78 | PTGES (0.43) | NPC1RAB9AALDH1A1TP53MAPK1 | |
| SCHEMBL13076380 | 0.78 | PTGES (0.35) | NPC1RAB9AALDH1A1TP53SMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2010127152-A2 | COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS | IRM LLC (BM) | 2010-11-04 | — | — | WO | disclosed |