Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.41 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL5530439 | 0.84 | ESR1 (0.42) | MAPK1TRPV1 | |
| SCHEMBL30276343 | 0.76 | HTT (0.51) | ALDH1A1HTTKMT2AMEN1TSHR | |
| SCHEMBL2115724 | 0.74 | ALDH1A1 (0.51) | ALDH1A1HTTXBP1KMT2AKDM4E | |
| SCHEMBL14825898 | 0.73 | MAPK1 (0.42) | ALDH1A1HTTXBP1KMT2AKDM4E | |
| SCHEMBL30443664 | 0.72 | MEN1 (0.41) | KMT2AKDM4EMEN1TSHRLMNA | |
| SCHEMBL9004030 | 0.72 | IDO1 (0.49) | ALDH1A1HTTKMT2AMEN1TSHR | |
| SCHEMBL5468751 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HTTXBP1KMT2AKDM4E | |
| SCHEMBL61381 | 0.71 | ALDH1A1 (0.63) | ALDH1A1HTTKMT2AMEN1HPGD | |
| SCHEMBL61382 | 0.71 | ALDH1A1 (0.63) | ALDH1A1HTTKMT2AMEN1HPGD | |
| SCHEMBL6689518 | 0.71 | KDM4E (0.46) | ALDH1A1HTTXBP1KMT2AKDM4E |
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-2012163790-A1 | SPIRO-[1,3]-OXAZINES AND SPIRO-[1,4]-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-12-06 | — | — | WO | disclosed |