Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | F9 | P00740 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.37 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13374640 | 1.00 | TAS1R3 (0.45) | TAS1R3TAS1R1ALDH1A1JAK1MAPT | |
| SCHEMBL4480695 | 0.97 | TAS1R3 (0.43) | TAS1R3TAS1R1ALDH1A1JAK1MAPT | |
| SCHEMBL27016744 | 0.83 | TAS1R3 (0.47) | TAS1R3TAS1R1ALDH1A1JAK1THRB | |
| SCHEMBL12894241 | 0.83 | TAS1R3 (0.47) | TAS1R3TAS1R1ALDH1A1JAK1THRB | |
| SCHEMBL12683535 | 0.83 | TAS1R3 (0.47) | TAS1R3TAS1R1ALDH1A1JAK1THRB | |
| SCHEMBL8297377 | 0.81 | TAS1R3 (0.46) | TAS1R3TAS1R1ALDH1A1JAK1MAPT | |
| Hydrochloric Acid SCHEMBL6383118 | 0.81 | TAS1R3 (0.46) | TAS1R3TAS1R1ALDH1A1JAK1MAPT | |
| SCHEMBL14565673 | 0.81 | TAS1R3 (0.49) | TAS1R3TAS1R1ALDH1A1JAK1MAPT | |
| SCHEMBL12993137 | 0.81 | GAA (0.48) | TAS1R3TAS1R1ALDH1A1L3MBTL1F9 | |
| SCHEMBL6872366 | 0.81 | GAA (0.48) | TAS1R3TAS1R1ALDH1A1L3MBTL1F9 |
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-8288565-B2 | Process for the synthesis of (2S,3AR,7AS)-octahydro-1H-indole carboxylic acid as an intermediate for trandolapril | ABBOTT LABORATORIES (US) | 2012-10-16 | — | — | US | disclosed |