Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28470335 | 0.82 | ABCB1 (0.43) | ABCB1ABCG2PDE5APTGDR2ALDH1A1 | |
| SCHEMBL28476647 | 0.76 | ABCB1 (0.50) | ABCB1ABCG2ALDH1A1HPGDKDM4E | |
| SCHEMBL28464316 | 0.76 | GUSB (0.39) | ABCB1ABCG2PDE5APTGDR2KDM4E | |
| SCHEMBL28473847 | 0.74 | ABCB1 (0.47) | ABCB1ABCG2ALDH1A1HPGDKDM4E | |
| SCHEMBL28464322 | 0.70 | HDAC6 (0.49) | ABCB1ABCG2ALDH1A1GAAHDAC6 | |
| SCHEMBL11112920 | 0.70 | ABCB1 (0.40) | ABCB1ABCG2HPGDKDM4EGAA | |
| SCHEMBL10804503 | 0.70 | ABCB1 (0.40) | ABCB1ABCG2ALDH1A1HPGDKDM4E | |
| SCHEMBL10854756 | 0.70 | ABCB1 (0.40) | ABCB1ABCG2ALDH1A1HPGDKDM4E | |
| SCHEMBL11174540 | 0.70 | TP53 (0.39) | ABCB1ABCG2PTGDR2ALDH1A1KDM4E | |
| SCHEMBL13877241 | 0.69 | SLC6A4 (0.47) | ABCB1ABCG2PDE5AALDH1A1KDM4E |
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-111675725-B | Tetrahydro-beta-carbaline dimer and preparation method and application thereof | 中国药科大学 | 2023-01-24 | — | — | CN | disclosed |