Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL28743042 | 0.81 | CA4 (0.74) | CA4LTA4HTAAR1SLC6A4ALDH1A1 | |
| Anisole SCHEMBL11638916 | 0.77 | CA4 (0.74) | CA4LTA4HTAAR1ALDH1A1MAOB | |
| SCHEMBL7971270 | 0.74 | TAAR1 (0.42) | TAAR1SLC6A4SLC6A2MAOA | |
| SCHEMBL7971274 | 0.74 | TAAR1 (0.42) | TAAR1SLC6A4SLC6A2MAOA | |
| SCHEMBL7971268 | 0.74 | TAAR1 (0.42) | TAAR1SLC6A4SLC6A2MAOA | |
| Anisole SCHEMBL11640244 | 0.73 | CA4 (0.88) | CA4LTA4HPKMALDH1A1MAOA | |
| Anisole SCHEMBL8472521 | 0.73 | CA4 (1.00) | CA4LTA4HPKMALDH1A1 | |
| Anisole SCHEMBL10721106 | 0.73 | CA4 (1.00) | CA4LTA4HPKMALDH1A1 | |
| Anisole SCHEMBL28813915 | 0.73 | CA4 (1.00) | CA4LTA4HPKMALDH1A1 | |
| Anisole SCHEMBL20328417 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115490724-A | Organic phosphine compound based on cyclophane skeleton and its use | 浙江大学 | 2022-12-20 | — | — | CN | claimed |
| CN-115490724-A | Organic phosphine compound based on cyclophane skeleton and its use | 浙江大学 | 2022-12-20 | — | — | CN | disclosed |
| CN-111423307-A | Reduction method of 2,2,4, 4-tetramethylcyclobutane | 上海卫希医药科技有限公司 | 2020-07-17 | — | — | CN | disclosed |