Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 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 | |
|---|---|---|---|---|
| SCHEMBL31021674 | 0.84 | KDM4E (0.41) | ALDH1A1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL31021793 | 0.81 | GHSR (0.35) | ALDH1A1PTGS1PTGS2PSEN1PSEN2 | |
| SCHEMBL31021751 | 0.81 | DAO (0.43) | DAO | |
| SCHEMBL28260107 | 0.80 | KMT2A (0.43) | ALDH1A1TSHRL3MBTL1HTTDDB1 | |
| SCHEMBL3051430 | 0.80 | ALDH1A1 (0.44) | ALDH1A1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL2475510 | 0.75 | DAO (0.39) | DAOALDH1A1NPSR1NISCH | |
| SCHEMBL13675547 | 0.75 | TAAR1 (0.38) | ALDH1A1PTGER3HTTDDB1CRBN | |
| SCHEMBL8070063 | 0.75 | DDB1 (0.42) | ALDH1A1NISCHHTTDDB1CRBN | |
| SCHEMBL21936672 | 0.74 | PROKR1 (0.40) | DAOCNR1 | |
| SCHEMBL14747890 | 0.74 | GBA1 (0.50) | DAO |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061961-A | Selective NR2B antagonists | 百时美施贵宝公司 | 2016-10-26 | — | — | CN | disclosed |