Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CETP | P11597 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21446960 | 1.00 | TSHR (0.55) | TSHRIDO1AKR1B1MPOTDP1 | |
| SCHEMBL206609 | 0.83 | TSHR (0.68) | TSHRIDO1CETPELANE | |
| SCHEMBL28208046 | 0.83 | TSHR (0.49) | TSHRIDO1AKR1B1 | |
| SCHEMBL2751216 | 0.80 | TSHR (0.51) | TSHRTDP1CETP | |
| SCHEMBL1178804 | 0.78 | IDO1 (0.53) | TSHRIDO1AKR1B1TDP1KEAP1 | |
| SCHEMBL12239114 | 0.78 | TSHR (0.62) | TSHRCETPELANE | |
| SCHEMBL2751265 | 0.78 | TSHR (0.49) | TSHRTDP1CETPELANE | |
| SCHEMBL5379773 | 0.77 | TSHR (0.61) | TSHRIDO1CETPELANE | |
| SCHEMBL926056 | 0.77 | IDO1 (0.52) | TSHRIDO1AKR1B1MPOKEAP1 | |
| SCHEMBL5322380 | 0.77 | IDO1 (0.52) | TSHRIDO1AKR1B1MPOKEAP1 |
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-111954525-B | Prodrugs of fused bicyclic C5aR antagonists | 凯莫森特里克斯股份有限公司 | 2023-12-26 | — | — | CN | disclosed |