Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | QPCT | Q16769 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 5/20 | 0.35 |
| ▸ | CNR1 | P21554 | 4/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.35 |
| ▸ | ACLY | P53396 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13076255 | 0.93 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2QPCTALDH1A1 | |
| SCHEMBL3791561 | 0.87 | PTGES (0.46) | NPC1RAB9ASMN1; SMN2QPCTALDH1A1 | |
| SCHEMBL13076262 | 0.87 | RAB9A (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL13076380 | 0.83 | PTGES (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL13076233 | 0.82 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL3800503 | 0.80 | PTGES (0.49) | NPC1RAB9ASMN1; SMN2QPCTALDH1A1 | |
| SCHEMBL13076382 | 0.78 | HTT (0.42) | NPC1RAB9AALDH1A1LMNAL3MBTL1 | |
| SCHEMBL13076263 | 0.78 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL13076244 | 0.76 | NPC1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL13076381 | 0.76 | HSD11B1 (0.34) | NPC1RAB9AL3MBTL1CASP3SENP8 |
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 |