Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | KCNQ3 | O43525 | 3/20 | 0.47 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.47 |
| ▸ | KCNQ4 | P56696 | 2/20 | 0.47 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9175285 | 0.79 | CYP1A2 (0.61) | CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ3 | |
| SCHEMBL24869058 | 0.79 | RECQL (0.52) | SMN1; SMN2RECQLMAPTRAB9AMAPK1 | |
| SCHEMBL24869068 | 0.77 | RECQL (0.55) | SMN1; SMN2RECQLMAPTALDH1A1 | |
| SCHEMBL10753431 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ3 | |
| SCHEMBL6946072 | 0.76 | NLRP3 (0.55) | NLRP3CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL18579715 | 0.76 | CYP1A2 (0.54) | NLRP3CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL24869446 | 0.75 | ALDH1A1 (0.51) | NLRP3CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL1275647 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19SMN1; SMN2KCNQ3 | |
| SCHEMBL12125523 | 0.75 | TSHR (0.52) | SMN1; SMN2MAPTRAB9ANPC1ALOX15 | |
| SCHEMBL4826373 | 0.74 | CYP1A2 (0.55) | NLRP3CYP1A2CYP2C9CYP2C19SMN1; SMN2 |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |