Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825645 | 0.85 | RAB9A (0.47) | PTGS1PTGS2MEN1NPC1RAB9A | |
| SCHEMBL28516941 | 0.81 | GABRA1 (0.38) | PTGS1PTGS2MEN1NPC1RAB9A | |
| SCHEMBL28949583 | 0.79 | GRIN2B (0.36) | PTGS1PTGS2NFE2L2GABRA1SIGMAR1 | |
| SCHEMBL28825503 | 0.79 | MEN1 (0.41) | PTGS1PTGS2MEN1NPC1RAB9A | |
| SCHEMBL28825496 | 0.75 | RAB9A (0.52) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL28825467 | 0.75 | GRIN1 (0.42) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL28825528 | 0.75 | NPC1 (0.53) | PTGS1PTGS2MEN1NPC1RAB9A | |
| SCHEMBL28525691 | 0.73 | ALOX5 (0.44) | PTGS1PTGS2MEN1NPC1RAB9A | |
| SCHEMBL27905797 | 0.72 | NPC1 (0.52) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL28517024 | 0.71 | ALOX5 (0.50) | PTGS1PTGS2NPC1RAB9ANFE2L2 |
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-108026094-B | Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2021-02-09 | — | — | CN | claimed |
| CN-108026094-B | Substituted 4-azaindoles and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2021-02-09 | — | — | CN | disclosed |