Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 6/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | YWHAG | P61981 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9300761 | 0.81 | GRM5 (0.46) | GRM5PKMNPSR1ALDH1A1HRH4 | |
| SCHEMBL10314867 | 0.79 | BRD4 (0.45) | GRM5ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16872109 | 0.76 | ACHE (0.44) | GRM5ALOX15PKMYWHAGNPSR1 | |
| SCHEMBL16872369 | 0.76 | ACHE (0.47) | ALOX15ALDH1A1BCHEACHEGABRA1 | |
| SCHEMBL16872118 | 0.75 | ACHE (0.46) | ALOX15ALDH1A1BCHEACHEGABRA1 | |
| SCHEMBL4173286 | 0.73 | ADRA2A (0.46) | KDM4ESMN1; SMN2 | |
| SCHEMBL16872128 | 0.73 | ACHE (0.44) | GRM5ALOX15ALDH1A1BCHEACHE | |
| SCHEMBL16872155 | 0.73 | PIK3CA (0.43) | GRM5ALOX15BCHEACHEKDM4E | |
| SCHEMBL16151971 | 0.72 | GRM5 (0.61) | GRM5GRM1GABRG2GABRB3GABRA5 | |
| SCHEMBL28621695 | 0.71 | SYK (0.44) | BCHEACHESYKAURKBINCENP |
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-104755471-A | Pyridine derivative and drug | NIPPON SHINYAKU CO LTD | 2015-07-01 | — | — | CN | disclosed |