Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | TIPARP | Q7Z3E1 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ACACB | O00763 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25876576 | 0.91 | CYP3A4 (0.43) | CYP3A4MEN1KMT2AUSP2CYP2D6 | |
| SCHEMBL25876321 | 0.85 | CYP3A4 (0.43) | CYP3A4MEN1KMT2AUSP2CYP2D6 | |
| SCHEMBL25870687 | 0.77 | CYP3A4 (0.41) | CYP3A4MEN1KMT2AUSP2CYP2D6 | |
| SCHEMBL25870685 | 0.74 | HIF1A (0.39) | CYP3A4MEN1KMT2AUSP2CYP2D6 | |
| SCHEMBL5280671 | 0.74 | MAPT (0.54) | HDAC1HDAC3HDAC2HDAC8HDAC6 | |
| SCHEMBL25870428 | 0.74 | MEN1 (0.44) | CYP3A4MEN1KMT2AUSP2CYP2D6 | |
| SCHEMBL25703284 | 0.70 | HDAC3 (0.49) | HDAC1HDAC3HDAC2HDAC8CHRM4 | |
| SCHEMBL12723192 | 0.70 | CYP3A4 (0.48) | CYP3A4MEN1KMT2ACYP2C9ALDH1A1 | |
| SCHEMBL12761286 | 0.67 | HDAC3 (0.51) | CYP3A4MEN1KMT2AHDAC1HDAC3 | |
| SCHEMBL28614518 | 0.67 | CYP11B2 (0.51) | CYP3A4ACACB |
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-2023116920-A1 | PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE | 杭州多域生物技术有限公司 | 2023-06-29 | — | — | WO | disclosed |