Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.31 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.31 |
| ▸ | DRD1 | P21728 | 3/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11813099 | 0.83 | MAPT (0.32) | MAPTHIF1ACYP1A2CYP2D6RAB9A | |
| SCHEMBL11809245 | 0.83 | BLM (0.49) | TAS1R3TAS1R1TSHRCYP3A4HSD17B10 | |
| SCHEMBL11815180 | 0.81 | SLC6A2 (0.39) | CYP3A4CYP2D6SLC6A3SLC6A4 | |
| SCHEMBL11811523 | 0.79 | CYP51A1 (0.39) | TAS1R3TAS1R1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL11805102 | 0.78 | ADRB2 (0.56) | TSHRCYP3A4ALDH1A1HSD17B10HPGD | |
| Hydrochloric Acid SCHEMBL11810811 | 0.76 | ADRB2 (0.57) | TSHRCYP3A4ALDH1A1HSD17B10HPGD | |
| SCHEMBL11809441 | 0.74 | ADRB2 (0.42) | TAS1R3TAS1R1TSHRCYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL11806256 | 0.74 | ADRB2 (0.44) | TAS1R3TAS1R1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL11813104 | 0.74 | LMNA (0.36) | TSHRCYP3A4ALDH1A1HSD17B10MAPT | |
| SCHEMBL12749934 | 0.74 | LMNA (0.48) | TAS1R3TAS1R1TSHRCYP3A4ALDH1A1 |
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-3954871-A | ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE | CONTINENTAL PHARMA (BE) | 1976-05-04 | — | — | US | disclosed |