Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1308770 | 0.84 | CYP2A6 (0.54) | CYP2A6HDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL30788042 | 0.84 | CYP2A6 (0.54) | CYP2A6HDAC2HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL15910606 | 0.82 | CYP2A6 (0.52) | CYP2A6HDAC2HDAC3HDAC4HDAC1 | |
| Ethane SCHEMBL277680 | 0.81 | CYP2A6 (0.50) | CYP2A6HDAC2HDAC3HDAC4HDAC1 | |
| Bicarbonate SCHEMBL9262624 | 0.79 | HDAC2 (0.49) | CYP2A6HDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL10896756 | 0.73 | CYP2A6 (0.47) | CYP2A6HDAC2HDAC3HDAC4HDAC1 | |
| SCHEMBL27706589 | 0.71 | CYP3A4 (0.56) | CYP2A6CA1CA2MAPTALDH1A1 | |
| SCHEMBL30076672 | 0.67 | CYP2A6 (1.00) | CYP2A6CA1CA2PKMMAPT | |
| SCHEMBL40953 | 0.67 | CYP2A6 (1.00) | CYP2A6CA1CA2PKMMAPT | |
| Benzothiophene SCHEMBL28836601 | 0.67 | CYP2A6 (0.43) | CYP2A6CA2ALDH1A1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118307513-A | 3-Aminobenzo [ b ] thiophene compound and preparation method and application thereof | 河南工业大学 | 2024-07-09 | — | — | CN | claimed |
| CN-118307513-A | 3-Aminobenzo [ b ] thiophene compound and preparation method and application thereof | 河南工业大学 | 2024-07-09 | — | — | CN | disclosed |