Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.48 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29176340 | 0.99 | ALDH1A1 (0.54) | KMT2AALDH1A1RAB9ANPC1ADORA2A | |
| SCHEMBL26414747 | 0.80 | RAB9A (0.76) | KMT2AALDH1A1RAB9ANPC1BACE1 | |
| SCHEMBL22122372 | 0.80 | HTR3E (0.55) | ALDH1A1RAB9ANPC1MAPTNR4A2 | |
| SCHEMBL28579659 | 0.80 | USP30 (0.52) | KMT2AALDH1A1MEN1POLBMAPT | |
| SCHEMBL16619233 | 0.77 | NR4A2 (0.52) | NR4A2 | |
| SCHEMBL29176362 | 0.75 | NHERF1 (0.49) | KMT2AALDH1A1RAB9ANPC1BACE1 | |
| SCHEMBL30914308 | 0.75 | CYP2A6 (0.54) | KMT2AALDH1A1MEN1CYP1A2NR4A2 | |
| SCHEMBL497998 | 0.75 | CYP2A6 (0.54) | KMT2AALDH1A1MEN1CYP1A2NR4A2 | |
| SCHEMBL3343582 | 0.73 | NPC1 (0.55) | KMT2AALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL10260257 | 0.73 | CFTR (0.57) | KMT2AALDH1A1RAB9ANPC1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024109642-A1 | USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR | 常州大学 | 2024-05-30 | — | — | WO | disclosed |
| CN-117447381-A | Indole amide derivative and its application in preparing beta 2 Use of adrenoreceptor allosteric antagonist medicaments | 常州大学 | 2024-01-26 | — | — | CN | disclosed |