Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 9/20 | 0.67 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.67 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5238060 | 0.92 | GRIN1 (0.56) | GRIN1GRIN2BGAATSHRNPC1 | |
| SCHEMBL8313723 | 0.81 | GRIN1 (1.00) | GRIN1GRIN2BGAATSHRPKM | |
| SCHEMBL8312793 | 0.79 | GRIN1 (0.67) | GRIN1GRIN2BGAATSHRPKM | |
| SCHEMBL8318192 | 0.75 | GRIN1 (1.00) | GRIN1GRIN2BGAANPC1DRD4 | |
| SCHEMBL8319076 | 0.74 | GRIN1 (1.00) | GRIN1GRIN2BGAANPC1DRD4 | |
| SCHEMBL7536655 | 0.73 | KDM4E (0.61) | TSHRKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8321110 | 0.73 | GRIN1 (0.66) | GRIN1GRIN2BGAATSHRPKM | |
| SCHEMBL8318042 | 0.72 | GRIN1 (1.00) | GRIN1GRIN2B | |
| SCHEMBL8313704 | 0.72 | GRIN1 (1.00) | GRIN1GRIN2B | |
| SCHEMBL8320273 | 0.72 | GRIN1 (1.00) | GRIN1GRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004048364-A1 | 2-[(4-BENZYL)-1-PIPERIDINYL)METHYL]BENZIMIDAZOLE-5-OL DERIVATIVES AS NR2B RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2004-06-10 | — | — | WO | disclosed |