Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 1/20 | 0.53 |
| ▸ | CTSL | P07711 | 1/20 | 0.53 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28254285 | 0.83 | KDM4E (0.50) | SMN1; SMN2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL28253381 | 0.78 | ESR1 (0.52) | CYP19A1SMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL28254264 | 0.77 | ESR1 (0.40) | CYP19A1KDM4EALDH1A1HSD17B10MAPT | |
| SCHEMBL8984992 | 0.74 | CTSV (0.55) | CTSVCTSLGABRPGABRDGABRA1 | |
| SCHEMBL11026164 | 0.74 | CTSV (0.55) | CTSVCTSLGABRPGABRDGABRA1 | |
| SCHEMBL28253407 | 0.74 | KDM4E (0.44) | CYP2C9CYP1A2SMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL28458696 | 0.73 | CTSV (0.54) | CTSVCTSLKDM4EALDH1A1MCL1 | |
| SCHEMBL28254239 | 0.71 | CTSV (0.51) | CTSVCTSLGABRPGABRDGABRA1 | |
| SCHEMBL171348 | 0.69 | NR1I2 (0.64) | CTSVCTSLCYP2D6CYP2C19CYP2C9 | |
| SCHEMBL12966402 | 0.69 | CTSV (0.51) | CTSVCTSLCYP2D6CYP2C19CYP2C9 |
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 |