Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 5/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.34 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18530419 | 0.81 | ADRB2 (0.38) | ADRB2ADRB1ADRB3SMN1; SMN2RAB9A | |
| SCHEMBL20231997 | 0.80 | AKR1C3 (0.36) | AKR1C3AKR1C2SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL30843547 | 0.80 | AKR1C3 (0.36) | AKR1C3AKR1C2SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL18551329 | 0.80 | HCAR2 (0.48) | SMN1; SMN2ALDH1A1HCAR2 | |
| SCHEMBL26148032 | 0.79 | ADRB2 (0.43) | ADRB2ADRB1ADRB3SMN1; SMN2RAB9A | |
| SCHEMBL24102734 | 0.76 | NOTUM (0.40) | AKR1C3AKR1C2SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL31691740 | 0.74 | SMN1; SMN2 (0.39) | AKR1C3AKR1C2SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL21405028 | 0.71 | PPARA (0.38) | AKR1C3AKR1C2SMN1; SMN2RAB9ANPC1 | |
| SCHEMBL31681540 | 0.70 | SMPD1 (0.36) | AKR1C3AKR1C2SMN1; SMN2KMT2A | |
| SCHEMBL24838208 | 0.69 | AKR1C3 (0.32) | AKR1C3AKR1C2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117460737-A | Heteroaromatic compounds, method for the production and use thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-26 | — | — | CN | disclosed |