Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | NAMPT | P43490 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20002092 | 0.82 | RORC (0.33) | KCNH3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL28159337 | 0.81 | ALDH1A1 (0.37) | KCNH3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL16886264 | 0.80 | RORC (0.33) | KCNH3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL18215020 | 0.79 | CYP3A4 (0.32) | KCNH3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL20233500 | 0.74 | GRM5 (0.36) | KCNH3GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL30960194 | 0.74 | KCNH3 (0.38) | KCNH3HSP90AA1GRIN1GRIN2BP2RX7 | |
| SCHEMBL28025302 | 0.74 | KCNH3 (0.38) | KCNH3HSP90AA1GRIN1GRIN2BP2RX7 | |
| SCHEMBL1263106 | 0.74 | — | — | |
| SCHEMBL242763 | 0.74 | — | — | |
| SCHEMBL11003033 | 0.74 | — | — |
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-109071488-B | Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators | 詹森药业有限公司 | 2021-08-13 | — | — | CN | disclosed |
| CN-109071488-A | Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator | 詹森药业有限公司 | 2018-12-21 | — | — | CN | disclosed |