Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29086776 | 1.00 | RAB9A (0.51) | RAB9ANPC1ADORA1SMYD3SMN1; SMN2 | |
| SCHEMBL30912932 | 0.99 | RAB9A (0.53) | RAB9ANPC1ADORA1SMYD3SMN1; SMN2 | |
| SCHEMBL29086887 | 0.99 | RAB9A (0.53) | RAB9ANPC1ADORA1SMYD3SMN1; SMN2 | |
| SCHEMBL29086755 | 0.84 | HPGDS (0.58) | RAB9ANPC1SMYD3HPGDPOLB | |
| SCHEMBL30912956 | 0.84 | HPGDS (0.58) | RAB9ANPC1SMYD3HPGDPOLB | |
| SCHEMBL602018 | 0.83 | HTR3E (0.47) | KMT2A | |
| SCHEMBL30912970 | 0.83 | HPGDS (0.59) | RAB9ANPC1HPGDALDH1A1CNR1 | |
| SCHEMBL29086793 | 0.83 | HPGDS (0.59) | RAB9ANPC1HPGDALDH1A1CNR1 | |
| SCHEMBL30642943 | 0.79 | PIN1 (0.53) | RAB9ANPC1SMN1; SMN2CYP1A2HPGD | |
| SCHEMBL14731244 | 0.79 | PIN1 (0.49) | RAB9ANPC1SMYD3SMN1; SMN2CYP1A2 |
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-2024109642-A1 | USE OF BENZOAZACYCLIC COMPOUND AS ALLOSTERIC MODULATOR OF β2-ADRENOCEPTOR | 常州大学 | 2024-05-30 | — | — | WO | disclosed |