Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28743558 | 1.00 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL8091192 | 0.80 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL248225 | 0.80 | IDO1 (0.50) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL28743939 | 0.75 | TAAR1 (0.48) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4110103 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL249746 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL30956678 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL895205 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL29439097 | 0.75 | IDO1 (0.54) | IDO1CYP1A2CYP3A4CYP2C9MAPK1 | |
| SCHEMBL28743938 | 0.75 | TAAR1 (0.48) | IDO1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |
| CN-108101826-A | Indoles substituted alkylamine class compound and application thereof | 华东理工大学 | 2018-06-01 | — | — | CN | disclosed |