Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SREBF1 | P36956 | 1/20 | 0.33 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.33 |
| ▸ | SORD | Q00796 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CDC7 | O00311 | 1/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL29256496 | 1.00 | CYP1A2 (0.45) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL18415133 | 0.81 | CYP1A2 (0.47) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL11994370 | 0.77 | CYP1A2 (0.46) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL17000203 | 0.74 | CYP1A2 (0.43) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL19846685 | 0.74 | CYP1A2 (0.47) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL27652629 | 0.74 | CYP1A2 (0.43) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL28235461 | 0.74 | CYP1A2 (0.43) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL14643122 | 0.74 | CYP1A2 (0.43) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL20960558 | 0.73 | CYP1A2 (0.46) | CYP1A2POLBCYP3A4TSHRPRKCI | |
| SCHEMBL19910242 | 0.73 | CYP1A2 (0.42) | CYP1A2POLBCYP3A4TSHRPRKCI |
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-118340754-A | Compound for treating heart failure and related diseases and application thereof | 源道医药(苏州)有限公司 | 2024-07-16 | — | — | CN | disclosed |