Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 2/20 | 0.46 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22290609 | 1.00 | SRD5A1 (0.46) | SRD5A1CASP2TRPV1CYP1A2CYP3A4 | |
| SCHEMBL17419131 | 0.90 | SRD5A1 (0.55) | SRD5A1CASP2TRPV1CYP1A2CYP3A4 | |
| SCHEMBL31597788 | 0.90 | SRD5A1 (0.55) | SRD5A1CASP2TRPV1CYP1A2CYP3A4 | |
| SCHEMBL30832131 | 0.87 | BMPR1B (0.49) | SRD5A1CASP2CYP1A2GABRA1GABRG2 | |
| SCHEMBL19224681 | 0.87 | BMPR1B (0.49) | SRD5A1CASP2CYP1A2GABRA1GABRG2 | |
| SCHEMBL10196915 | 0.81 | ALDH1A1 (0.51) | SRD5A1HDAC1HDAC6BMPR1BBMPR1A | |
| SCHEMBL290257 | 0.81 | IDO1 (0.47) | SRD5A1CASP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30683070 | 0.81 | IDO1 (0.47) | SRD5A1CASP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15965382 | 0.80 | SRD5A1 (0.46) | SRD5A1TRPV1HDAC1HDAC6BMPR1B | |
| SCHEMBL2062210 | 0.80 | ATAD2 (0.44) | HSD17B3BMPR1BBMPR1ATGFBR1ACVRL1 |
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-2024046361-A1 | AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF | 科辉智药生物科技（无锡）有限公司 | 2024-03-07 | — | — | WO | disclosed |