Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9067022 | 0.97 | ACHE (0.47) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL10702121 | 0.92 | ACHE (0.47) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL29468536 | 0.86 | ACHE (0.53) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL57312 | 0.86 | ACHE (0.53) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL29411690 | 0.86 | ACHE (0.53) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL4231323 | 0.83 | ACHE (0.50) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL9400749 | 0.83 | ACHE (0.39) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL29723035 | 0.79 | ACHE (0.45) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL3892986 | 0.79 | ACHE (0.45) | ACHETSHRHAO1MCHR1ALDH1A1 | |
| SCHEMBL29722832 | 0.75 | MAPT (0.57) | ACHETSHRHAO1MCHR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4303765-A | PEPTIZATION WITH AROMATIC POLYSULFIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-12-01 | — | — | US | disclosed |