Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | F13A1 | P00488 | 1/20 | 0.32 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.30 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | BCHE | P06276 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2737198 | 0.76 | ALDH1A1 (0.33) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL10137208 | 0.74 | NPC1 (0.34) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL14518742 | 0.74 | NPC1 (0.32) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL12530098 | 0.72 | ALDH1A1 (0.36) | NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT5 | |
| SCHEMBL5953857 | 0.70 | BCHE (0.30) | SMN1; SMN2BCHEACHE | |
| SCHEMBL10137204 | 0.68 | BCHE (0.32) | NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT5 | |
| SCHEMBL1027805 | 0.65 | SMN1; SMN2 (0.64) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL105520 | 0.64 | KDM4E (0.71) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP2C19 | |
| SCHEMBL12530105 | 0.64 | HSP90AA1 (0.42) | ALDH1A1RAB9ASMN1; SMN2KDM4EBCHE | |
| SCHEMBL10137210 | 0.63 | SMN1; SMN2 (0.60) | NPC1ALDH1A1RAB9ASMN1; SMN2CYP2C19 |
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-2259061-A2 | Boronic acid derivatives | The Regents of The University of California (US) | 2010-12-08 | — | — | EP | disclosed |