Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8102399 | 0.84 | CYP3A4 (0.42) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL28892570 | 0.83 | ALDH1A1 (0.33) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL27120578 | 0.82 | ALDH1A1 (0.36) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL25162229 | 0.82 | ALDH1A1 (0.36) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL5814455 | 0.82 | CA1 (0.38) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL11415512 | 0.82 | HDAC1 (0.37) | HDAC1HDAC6CA1CA2CA12 | |
| SCHEMBL7073277 | 0.81 | CA1 (0.36) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL18745019 | 0.80 | ALDH1A1 (0.41) | ALDH1A1TSHRCYP3A4TDP1HDAC1 | |
| Hydrochloric Acid SCHEMBL25243100 | 0.80 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53CYP3A4TDP1 | |
| SCHEMBL3730086 | 0.77 | CA1 (0.41) | HDAC1HDAC6CA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4006033-A1 | ADENOSINE RECEPTOR ANTAGONIST | Xiamen Biotime Biotechnology Co., Ltd. (CN) | 2022-06-01 | — | — | EP | disclosed |