Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11242431 | 0.82 | ADRB2 (0.40) | SIGMAR1MTNR1AHPGDHTTADRB2 | |
| SCHEMBL4100261 | 0.70 | MTNR1A (0.58) | MTNR1ACA2HPGDHTT | |
| SCHEMBL30496750 | 0.70 | MTNR1A (0.58) | MTNR1ACA2HPGDHTT | |
| Hydrochloric Acid SCHEMBL28128851 | 0.69 | MTNR1A (0.57) | MTNR1ACA2HPGDHTT | |
| SCHEMBL30301308 | 0.67 | ALDH1A1 (0.67) | SIGMAR1MTNR1ACA12CA3CA4 | |
| SCHEMBL30301309 | 0.67 | ALDH1A1 (0.67) | SIGMAR1MTNR1ACA12CA3CA4 | |
| SCHEMBL11238592 | 0.67 | CTNNB1 (0.50) | SIGMAR1HPGDHTTADRB2CTNNB1 | |
| SCHEMBL7402726 | 0.66 | CTNNB1 (0.53) | MTNR1AHPGDHTTADRB2CTNNB1 | |
| SCHEMBL8685913 | 0.66 | HPGD (0.45) | SIGMAR1MTNR1ACA2HPGDHTT | |
| SCHEMBL11410876 | 0.65 | CTNNB1 (0.55) | MTNR1AHPGDHTTCTNNB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4317832-A | ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AGENTS | KLINGLER KARL HEINZ | 1982-03-02 | — | — | US | disclosed |