Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7918401 | 0.81 | NPC1 (0.41) | NPC1RAB9AALDH1A1ADRA2AKDM4E | |
| SCHEMBL7922107 | 0.81 | NPC1 (0.41) | NPC1RAB9AALDH1A1ADRA2AKDM4E | |
| SCHEMBL7919151 | 0.77 | NPC1 (0.40) | NPC1RAB9AALDH1A1ADRA2AKDM4E | |
| SCHEMBL7913137 | 0.76 | NPC1 (0.37) | NPC1RAB9AALDH1A1ADRA2AKDM4E | |
| SCHEMBL7923192 | 0.74 | ADRA2A (0.34) | ADRA2A | |
| SCHEMBL7916903 | 0.73 | NPC1 (0.39) | NPC1RAB9AALDH1A1ADRA2AKDM4E | |
| SCHEMBL1011302 | 0.70 | NPC1 (0.52) | NPC1RAB9AALDH1A1ADRA2AKDM4E | |
| SCHEMBL7918299 | 0.69 | GRM5 (0.32) | — | |
| SCHEMBL1638724 | 0.69 | ALDH1A1 (0.72) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL30567324 | 0.69 | ALDH1A1 (0.68) | NPC1RAB9AALDH1A1KDM4EMEN1 |
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-2010042475-A1 | SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS | SCHERING CORPORATION (US) | 2010-04-15 | — | — | WO | disclosed |