Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 9/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
| ▸ | HTR2B | P41595 | 3/20 | 0.39 |
| ▸ | NR2E1 | Q9Y466 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | HTR2C | P28335 | 3/20 | 0.39 |
| ▸ | HTR6 | P50406 | 3/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9688183 | 0.88 | CTSS (0.48) | ADRB1ADRB2CYP2D6ADRB3CYP1A2 | |
| SCHEMBL9688229 | 0.81 | CTSS (0.48) | ADRB1ADRB2ADRB3CYP1A2 | |
| SCHEMBL9687213 | 0.81 | MAPK1 (0.44) | MAPK1SMN1; SMN2GAAMAPTHTT | |
| SCHEMBL9687447 | 0.79 | MAPK1 (0.41) | MAPK1SMN1; SMN2GAAMAPTHTT | |
| SCHEMBL9687223 | 0.77 | PIK3CA (0.34) | HTTCYP2C9 | |
| SCHEMBL7304449 | 0.75 | PDE3B (0.39) | MAPK1SMN1; SMN2GAAMAPTHTT | |
| SCHEMBL7306568 | 0.70 | ADRB2 (0.39) | MAPK1GAAMAPTADRB1ADRB2 | |
| SCHEMBL7303647 | 0.70 | CTSS (0.45) | ADRB1ADRB2ADRB3CYP1A2 | |
| SCHEMBL7303724 | 0.69 | RAD52 (0.43) | MAPK1SMN1; SMN2MAPTCYP1A2LMNA | |
| SCHEMBL4845731 | 0.66 | ADRB2 (0.67) | MAPK1SMN1; SMN2GAAMAPTHTT |
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-5135932-A | 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE | DR. KARL THOMAE GMBH (DE) | 1992-08-04 | — | — | US | disclosed |