Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4592215 | 0.85 | CYP2A6 (0.53) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 | |
| SCHEMBL27752659 | 0.81 | ITGB3 (0.39) | MTNR1ARAD52MAPTALDH1A1 | |
| SCHEMBL27709633 | 0.81 | CYP2A6 (0.45) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 | |
| SCHEMBL3350812 | 0.80 | CYP2A6 (0.58) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 | |
| SCHEMBL2252250 | 0.79 | SMN1; SMN2 (0.50) | CYP2A6SMN1; SMN2TP53RXFP1PKM | |
| SCHEMBL48674 | 0.78 | POLB (0.64) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 | |
| SCHEMBL28073660 | 0.77 | ITGB3 (0.37) | MTNR1ARAD52ALDH1A1 | |
| SCHEMBL15574186 | 0.77 | CYP2A6 (0.54) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 | |
| SCHEMBL8786755 | 0.77 | CYP4F2 (0.60) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 | |
| SCHEMBL6999394 | 0.76 | CYP2A6 (0.53) | CYP2A6MTNR1AIDO1SMN1; SMN2TP53 |
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-113896709-B | Synthetic method of benzothiophene-3-acetic acid | 南京一苇医药科技有限公司 | 2023-02-28 | — | — | CN | disclosed |
| CN-113896709-A | Synthetic method of benzothiophene-3-acetic acid | 南京一苇医药科技有限公司 | 2022-01-07 | — | — | CN | disclosed |