Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL185769 | 0.92 | SLC6A2 (0.50) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| Bromide SCHEMBL28214530 | 0.90 | SLC6A2 (0.48) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL29253660 | 0.90 | SLC6A2 (0.48) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| Water SCHEMBL28298252 | 0.90 | SLC6A2 (0.48) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL29076224 | 0.87 | SLC6A2 (0.46) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| Acetonitrile SCHEMBL28021328 | 0.86 | SLC6A2 (0.46) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL19100363 | 0.84 | SMN1; SMN2 (0.45) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL27851923 | 0.79 | FAAH (0.45) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL27298116 | 0.79 | SMN1; SMN2 (0.41) | TAAR1SLC6A2LMNACYP2D6SMN1; SMN2 | |
| SCHEMBL15959778 | 0.78 | TAAR1 (0.50) | TAAR1SLC6A2LMNACYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105585583-A | Non-peptide IAP (inhibitor of apoptosis protein) antagonist as well as synthetic method and application thereof | UNIV GUANGDONG TECHNOLOGY | 2016-05-18 | — | — | CN | claimed |
| CN-105566447-A | Peptoid antagonist of anti-apoptosis protein and synthesis method and application of peptoid antagonist | UNIV GUANGDONG TECHNOLOGY | 2016-05-11 | — | — | CN | claimed |
| CN-105566447-B | The class peptide antagonists and its synthetic method of a kind of apoptosis inhibitory protein and application | 广东工业大学 | 2019-09-20 | — | — | CN | disclosed |
| CN-105585583-A | Non-peptide IAP (inhibitor of apoptosis protein) antagonist as well as synthetic method and application thereof | UNIV GUANGDONG TECHNOLOGY | 2016-05-18 | — | — | CN | disclosed |
| CN-105566447-A | Peptoid antagonist of anti-apoptosis protein and synthesis method and application of peptoid antagonist | UNIV GUANGDONG TECHNOLOGY | 2016-05-11 | — | — | CN | disclosed |