Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | NOS1 | P29475 | 10/20 | 0.44 |
| ▸ | NOS3 | P29474 | 8/20 | 0.44 |
| ▸ | NOS2 | P35228 | 5/20 | 0.44 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6226312 | 0.84 | CA12 (0.47) | TPMTNOS1NOS3NOS2HCAR1 | |
| SCHEMBL8335518 | 0.77 | NOS1 (0.71) | NOS1NOS3NOS2SMN1; SMN2 | |
| SCHEMBL31398620 | 0.76 | NOS1 (0.68) | NOS1NOS3NOS2CA12CA1 | |
| SCHEMBL13979402 | 0.73 | TPMT (0.64) | TPMTHCAR1HCAR2CA12CA1 | |
| SCHEMBL8334251 | 0.70 | NEU3 (0.44) | TPMTNOS1NOS3NOS2CA12 | |
| SCHEMBL221684 | 0.70 | TPMT (1.00) | TPMTHCAR1HCAR2CA12CA1 | |
| SCHEMBL40661 | 0.70 | TPMT (0.89) | TPMTHCAR1HCAR2CA12CA1 | |
| SCHEMBL12446319 | 0.70 | TPMT (0.64) | TPMTHCAR1HCAR2CA12CA1 | |
| SCHEMBL27704356 | 0.69 | TPMT (0.70) | TPMTHCAR1HCAR2CA12CA1 | |
| SCHEMBL26317012 | 0.68 | TRPA1 (0.58) | TPMTHCAR1RXRARXRBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004060376-A1 | THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES | PHARMACIA CORPRATION (US) | 2004-07-22 | — | — | WO | disclosed |