Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.40 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.39 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.38 |
| ▸ | GPR27 | Q9NS67 | 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 | |
|---|---|---|---|---|
| SCHEMBL24750094 | 0.88 | NPC1 (0.53) | NPC1ALDH1A1LMNAHSP90AA1TP53 | |
| SCHEMBL12332 | 0.82 | NPC1 (1.00) | NPC1ALDH1A1LMNATP53GAA | |
| SCHEMBL14198866 | 0.72 | LMNA (0.68) | NPC1ALDH1A1LMNAHSP90AA1TP53 | |
| SCHEMBL7605183 | 0.71 | ALDH1A1 (1.00) | NPC1ALDH1A1LMNAABL1RIN1 | |
| SCHEMBL12106 | 0.70 | NPC1 (0.73) | NPC1ALDH1A1LMNATP53 | |
| SCHEMBL4930270 | 0.68 | SMN1; SMN2 (0.59) | NPC1ALDH1A1LMNAALOX15TSHR | |
| SCHEMBL21538162 | 0.67 | ALDH1A1 (0.50) | ALDH1A1LMNAHSP90AA1TSHRMEN1 | |
| SCHEMBL18516792 | 0.67 | NPC1 (0.69) | NPC1ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL20976539 | 0.65 | ALDH1A1 (0.42) | ALDH1A1LMNATSHRMEN1KMT2A | |
| SCHEMBL15567733 | 0.65 | GPR6 (0.54) | NPC1ALDH1A1LMNAABL1RIN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3561077-A1 | METHODS AND COMPOSITIONS FOR CELL-PROLIFERATION-RELATED DISORDERS | Agios Pharmaceuticals, Inc. (US) | 2019-10-30 | — | — | EP | disclosed |