Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.54 |
| ▸ | SLC9A1 | P19634 | 5/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | MGAM | O43451 | 1/20 | 0.48 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.48 |
| ▸ | SI | P14410 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29839046 | 0.83 | KCNMA1 (0.69) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL3552907 | 0.82 | KCNMA1 (0.67) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL20815428 | 0.80 | KCNMA1 (0.64) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL22000732 | 0.76 | GRM2 (0.75) | KCNMA1SLC9A1GRM2LMNARAB9A | |
| SCHEMBL7599503 | 0.75 | SLC9A1 (0.69) | SLC9A1GRM2KMT2AALDH1A1LMNA | |
| SCHEMBL23058946 | 0.75 | KCNMA1 (0.50) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL18617433 | 0.72 | ALDH1A1 (0.55) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL27787872 | 0.72 | KCNMA1 (0.53) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL24460754 | 0.72 | GRM2 (0.68) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 | |
| SCHEMBL20246151 | 0.71 | SLC9A1 (0.54) | KCNMA1SLC9A1GRM2KMT2AALDH1A1 |
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-2021080997-A1 | 3-(4-(11H-DIBENZO[B,E][1,4]AZEPIN-6-YL)PIPERAZIN-1-YL)- AND 3-(4-(DIBENZO[B,F][1,4]OXAZEPIN/THIAZEPIN/DIAZEPIN-11-YL)PIPERAZIN-1-YL)-PROPANO IC ACID DERIVATIVES AS H1 AND 5-HT2A-RECEPTOR MODULATORS FOR THE TREATMENT OF SLEEP DISORDERS | ALAIRION, INC. (US) | 2021-04-29 | — | — | WO | disclosed |