Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.34 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.34 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.34 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.34 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 3/20 | 0.33 |
| ▸ | CPN1 | P15169 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.32 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.32 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27741891 | 0.98 | ALOX15 (0.46) | TSHRALOX15GABRA5GABRB2GABRA1 | |
| SCHEMBL5584080 | 0.82 | — | — | |
| SCHEMBL5584079 | 0.82 | — | — | |
| SCHEMBL20640999 | 0.82 | — | — | |
| SCHEMBL9326003 | 0.75 | ADH1B (0.34) | EPHX1 | |
| SCHEMBL7138787 | 0.74 | GBA1 (0.38) | TSHRALOX15GABRA5GABRB2GABRA1 | |
| SCHEMBL8907652 | 0.73 | TDP1 (0.37) | TSHRALOX15GBA1GNAI3GNAO1 | |
| SCHEMBL7586193 | 0.71 | TSHR (0.35) | TSHRALOX15GABRA5GABRB2GABRA1 | |
| SCHEMBL7698450 | 0.71 | TSHR (0.35) | TSHRALOX15GABRA5GABRB2GABRA1 | |
| SCHEMBL24822647 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1399160-A4 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO INC (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1399160-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | Merck & Co., Inc. (US) | 2004-03-24 | — | — | EP | disclosed |
| WO-2002100352-A2 | NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES | MERCK & CO., INC. (US) | 2002-12-19 | — | — | WO | disclosed |