Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MPO | P05164 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28320873 | 0.84 | ALDH1A1 (0.43) | TP53ALDH1A1MAOAMAOBSMN1; SMN2 | |
| SCHEMBL28633248 | 0.83 | MPO (0.42) | MPONOS2SLC6A4CYP2D6SLC6A2 | |
| SCHEMBL28628458 | 0.83 | SMN1; SMN2 (0.43) | MPOSLC6A4SLC6A2ALDH1A1LMNA | |
| SCHEMBL28319752 | 0.71 | SMN1; SMN2 (0.47) | TP53ALDH1A1KDM4EMAPTSMN1; SMN2 | |
| SCHEMBL22804940 | 0.71 | MAOB (0.58) | NOS2SLC6A4CYP2D6SLC6A2TP53 | |
| SCHEMBL20872955 | 0.71 | MAOA (0.54) | NOS2SLC6A4CYP2D6SLC6A2TP53 | |
| SCHEMBL4014797 | 0.69 | MAOA (0.59) | TP53ALDH1A1KDM4EMAPTMAOA | |
| SCHEMBL28320871 | 0.69 | SMN1; SMN2 (0.45) | MPOSLC6A4SLC6A2ALDH1A1KDM4E | |
| SCHEMBL4599675 | 0.68 | AR (0.50) | ALDH1A1KDM4ELMNAMAPTMAOA | |
| SCHEMBL938654 | 0.68 | CYP2A6 (0.44) | NOS2CYP2D6ALDH1A1KDM4EMAPT |
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-110283179-B | Method for directly constructing indole-fused ring compound | 中国科学技术大学 | 2021-10-01 | — | — | CN | claimed |
| CN-110283179-B | Method for directly constructing indole-fused ring compound | 中国科学技术大学 | 2021-10-01 | — | — | CN | disclosed |