Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 1/20 | 0.51 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28254287 | 0.84 | PDE10A (0.57) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL28253382 | 0.79 | ESR1 (0.62) | ALDH1A1KDM4EHPGDDRD2HTR2A | |
| SCHEMBL28254266 | 0.78 | ESR1 (0.49) | ALDH1A1KDM4EHPGDSMN1; SMN2DRD2 | |
| SCHEMBL6206282 | 0.77 | KCNH2 (0.61) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL28253409 | 0.75 | TUBB4A (0.48) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL28063453 | 0.75 | KCNH2 (0.58) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL9213320 | 0.75 | DRD2 (0.47) | CTSVCTSLALDH1A1KDM4EHPGD | |
| SCHEMBL1102363 | 0.74 | KCNH2 (0.57) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL28060318 | 0.74 | KCNH2 (0.57) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 | |
| SCHEMBL28327434 | 0.74 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDSMN1; SMN2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108863894-A | A kind of method of the direct synthesis of indole of nitrile | 中国科学技术大学 | 2018-11-23 | — | — | CN | disclosed |