Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.43 |
| ▸ | CTSE | P14091 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17140776 | 0.96 | NPC1L1 (0.47) | NPC1L1LMNAMAPTSMN1; SMN2BACE1 | |
| SCHEMBL18940740 | 0.85 | NPC1L1 (0.51) | NPC1L1LMNAMAPTALDH1A1OPRM1 | |
| SCHEMBL17141075 | 0.84 | NPC1L1 (0.48) | NPC1L1LMNAMAPTALDH1A1OPRM1 | |
| SCHEMBL17149558 | 0.84 | NPC1L1 (0.48) | NPC1L1LMNAMAPTALDH1A1OPRM1 | |
| SCHEMBL17141036 | 0.84 | NPC1L1 (0.48) | NPC1L1LMNAMAPTALDH1A1OPRM1 | |
| SCHEMBL17140692 | 0.84 | NPC1L1 (0.58) | NPC1L1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL17140857 | 0.84 | NPC1L1 (0.50) | NPC1L1LMNAMAPTSMN1; SMN2OPRM1 | |
| SCHEMBL17140743 | 0.83 | NPC1L1 (0.54) | NPC1L1OPRM1OPRD1OPRK1OPRL1 | |
| SCHEMBL17149494 | 0.82 | GPR119 (0.53) | NPC1L1SMN1; SMN2OPRM1OPRD1OPRK1 | |
| SCHEMBL17140451 | 0.82 | OPRM1 (0.52) | SMN1; SMN2ALDH1A1OPRM1OPRD1OPRK1 |
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-2015154023-A1 | SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN | X-RX DISCOVERY, INC. (US) | 2015-10-08 | — | — | WO | disclosed |