Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 10/20 | 0.45 |
| ▸ | NPC1 | O15118 | 9/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
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 | 0.92 | NPC1 (0.46) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL13076253 | 0.87 | NPC1 (0.38) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL3797347 | 0.86 | PTGES (0.50) | RAB9ANPC1SMN1; SMN2ALDH1A1S1PR1 | |
| SCHEMBL13076233 | 0.86 | RAB9A (0.43) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL13076380 | 0.85 | PTGES (0.35) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL13076382 | 0.80 | HTT (0.42) | RAB9ANPC1ALDH1A1L3MBTL1PTGES | |
| SCHEMBL13076263 | 0.80 | NPC1 (0.35) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL3800503 | 0.79 | PTGES (0.49) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL13076244 | 0.78 | NPC1 (0.43) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL13076236 | 0.78 | NPC1 (0.45) | RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1 |
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 |