Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | IL1B | P01584 | 1/20 | 0.37 |
| ▸ | LOX | P28300 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.33 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21379706 | 1.00 | NUDT1 (0.45) | NUDT1ACACBIL1BLOXLOXL2 | |
| SCHEMBL19783211 | 0.83 | CYP2D6 (0.41) | NUDT1LOXLOXL2ASIC3ACVR2A | |
| SCHEMBL30189896 | 0.81 | ALDH1A1 (0.41) | NUDT1ACACBIL1BLOXLOXL2 | |
| SCHEMBL18150999 | 0.81 | ALDH1A1 (0.41) | NUDT1ACACBIL1BLOXLOXL2 | |
| SCHEMBL109903 | 0.80 | ALDH1A1 (0.48) | NUDT1LOXLOXL2ASIC3NOS3 | |
| SCHEMBL15464119 | 0.78 | IL1B (0.49) | IL1BMCHR1PTGS2NOS3NOS2 | |
| SCHEMBL28941077 | 0.77 | MEN1 (0.41) | NUDT1ACACBIL1BLOXL2AAK1 | |
| SCHEMBL2144434 | 0.76 | LOXL2 (0.43) | LOXLOXL2ASIC3NOS3NOS1 | |
| SCHEMBL2228010 | 0.75 | KDM4E (0.49) | NUDT1IL1B | |
| SCHEMBL171947 | 0.75 | TP53 (0.48) | ACACBLOXLOXL2ASIC3NOS3 |
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-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |