Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.46 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.46 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | PRCP | P42785 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.46 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11619698 | 0.76 | KMT2A (0.42) | SLC6A4MEN1KMT2AHTTHPGD | |
| SCHEMBL11066307 | 0.74 | SIGMAR1 (0.50) | SIGMAR1GRIN1GRIN2AGRIN2BSLC6A3 | |
| SCHEMBL27174624 | 0.73 | IDO1 (0.39) | SLC6A4MEN1KMT2AHTT | |
| SCHEMBL29093049 | 0.71 | IDO1 (0.41) | MEN1KMT2AHTTHPGD | |
| SCHEMBL8635453 | 0.70 | SIGMAR1 (0.50) | SIGMAR1GRIN1GRIN2AGRIN2BSLC6A3 | |
| SCHEMBL3404247 | 0.69 | DPP4 (0.43) | SLC6A3SLC6A2SLC6A4MEN1KMT2A | |
| SCHEMBL18429033 | 0.69 | SIGMAR1 (0.48) | SIGMAR1SLC6A3TSHRMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL29424738 | 0.67 | SIGMAR1 (0.47) | SIGMAR1SLC6A3TSHRMEN1KMT2A | |
| SCHEMBL1983726 | 0.66 | CYP2C19 (0.41) | TSHRMEN1KMT2AHPGDGAA | |
| SCHEMBL7323247 | 0.66 | ALDH1A1 (0.36) | SLC6A4TSHRMEN1KMT2AHTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0710237-A1 | QUINOLIZIDINES WITH CALCIUM CHANNEL ANTAGONISTIC ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003302-A1 | QUINOLIZIDINES WITH CALCIUM CHANNEL ANTAGONISTIC ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1995-02-02 | — | — | WO | disclosed |