Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | PFKFB2 | O60825 | 3/20 | 0.39 |
| ▸ | PFKFB1 | P16118 | 3/20 | 0.39 |
| ▸ | PFKFB3 | Q16875 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 2/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.37 |
| ▸ | GABRE | P78334 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28597875 | 0.87 | XDH (0.43) | XDHICMTHTR3AKDM4EALDH1A1 | |
| SCHEMBL28592168 | 0.83 | ICMT (0.42) | ICMTHTR3AKDM4EALDH1A1GAA | |
| SCHEMBL28587924 | 0.81 | ALDH1A1 (0.39) | XDHKMT2AGABRPGABRDGABRA1 | |
| SCHEMBL28613228 | 0.80 | NR3C1 (0.40) | XDHKMT2AGABRPGABRDGABRA1 | |
| SCHEMBL4350898 | 0.80 | PTGER4 (0.43) | KMT2AICMTKDM4EALDH1A1GAA | |
| SCHEMBL28606673 | 0.80 | SMN1; SMN2 (0.48) | XDHKMT2AALDH1A1 | |
| SCHEMBL31346918 | 0.79 | PTGDR2 (0.51) | KMT2AKDM4EALDH1A1GAA | |
| SCHEMBL28602068 | 0.78 | ALDH1A1 (0.52) | KMT2AALDH1A1 | |
| SCHEMBL13132153 | 0.78 | NPC1 (0.50) | ALDH1A1 | |
| SCHEMBL5440329 | 0.77 | ALDH1A1 (0.60) | KMT2AGABRPGABRDGABRA1GABRB1 |
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-113173917-B | 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof | 沈阳药科大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113173917-A | 1-alkyl-5-tetrazolyl/pyrimidone-1H-indole-3-carbonitrile compound and preparation method and application thereof | 沈阳药科大学 | 2021-07-27 | — | — | CN | disclosed |