Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FSCN1 | Q16658 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21643683 | 0.82 | RAB9A (0.53) | NPC1RAB9ATP53KDM4EALDH1A1 | |
| SCHEMBL28539473 | 0.76 | KDM4E (0.41) | HDAC6ADORA2BSMN1; SMN2NPC1RAB9A | |
| SCHEMBL13799935 | 0.69 | SMN1; SMN2 (0.76) | HDAC6SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL21643688 | 0.69 | POLB (0.40) | TP53LMNA | |
| SCHEMBL12878629 | 0.69 | NPC1 (0.50) | ADORA2BSMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL28709455 | 0.68 | TRPA1 (0.56) | HDAC6SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL20971253 | 0.66 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL17163964 | 0.66 | TRPA1 (0.58) | HDAC6ADORA2BSMN1; SMN2NPC1RAB9A | |
| SCHEMBL23103466 | 0.65 | GRM1 (0.38) | — | |
| SCHEMBL10085099 | 0.65 | HDAC6 (0.61) | HDAC6SMN1; SMN2NPC1RAB9ATP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112513047-B | Heteroaromatic NMDA receptor modulators and uses thereof | 诺华股份有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-112513047-A | Heteroaromatic NMDA receptor modulators and uses thereof | 卡登特治疗公司 | 2021-03-16 | — | — | CN | disclosed |