Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | IL2 | P60568 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.41 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12156051 | 0.90 | IL2 (0.57) | NPC1RAB9AALOX15HTTTP53 | |
| SCHEMBL12156050 | 0.90 | SMN1; SMN2 (0.52) | NPC1RAB9AHTTTP53IL2 | |
| SCHEMBL12155963 | 0.88 | NPC1 (0.44) | NPC1RAB9AMAPK1ALOX15HTT | |
| SCHEMBL12156315 | 0.87 | NPC1 (0.50) | NPC1RAB9AMAPK1ALOX15HTT | |
| SCHEMBL12241725 | 0.86 | NPC1 (0.44) | NPC1RAB9AMAPK1ALOX15HTT | |
| SCHEMBL12156049 | 0.85 | NPC1 (0.56) | NPC1RAB9AMAPK1ALOX15HTT | |
| SCHEMBL12241737 | 0.83 | NPC1 (0.44) | NPC1RAB9AMAPK1ALOX15HTT | |
| SCHEMBL12241683 | 0.83 | IL2 (0.58) | NPC1RAB9AIL2KMT2AMEN1 | |
| SCHEMBL12241603 | 0.81 | RAB9A (0.55) | NPC1RAB9AMAPK1ALOX15HTT | |
| SCHEMBL12156320 | 0.79 | SMN1; SMN2 (0.51) | NPC1RAB9AMAPK1TP53IL2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8980629-B2 | Compounds that modulate intracellular calcium | CALCIMEDICA, INC. (US) | 2015-03-17 | — | — | US | disclosed |