Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11985027 | 0.80 | CA1 (0.43) | CA1CA2CA9RXFP1ALDH1A1 | |
| SCHEMBL8668643 | 0.78 | CA1 (0.50) | CA1CA2CA9RXFP1 | |
| SCHEMBL8703459 | 0.75 | NPY5R (0.48) | CA1CA2CA9NPY5RALDH1A1 | |
| SCHEMBL8133151 | 0.75 | FYN (0.57) | MEN1KMT2AMAPT | |
| SCHEMBL19995817 | 0.73 | CA1 (0.45) | CA1CA2CA9RXFP1ALDH1A1 | |
| SCHEMBL433839 | 0.73 | CA1 (0.45) | CA1CA2CA9RXFP1ALDH1A1 | |
| SCHEMBL29575116 | 0.73 | CA1 (0.45) | CA1CA2CA9RXFP1ALDH1A1 | |
| SCHEMBL8667950 | 0.73 | CA1 (0.38) | CA1CA2CA9RXFP1ALDH1A1 | |
| SCHEMBL18750435 | 0.72 | CA1 (0.56) | CA1CA2CA9RXFP1ALDH1A1 | |
| SCHEMBL16769416 | 0.70 | CA1 (0.45) | CA1CA2CA9RXFP1ALDH1A1 |
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-1998005651-A1 | NOVEL GLUTAMATE RECEPTOR ANTAGONISTS: FUSED CYCLOALKYL QUINOXALINEDIONES | WARNER-LAMBERT COMPANY (US) | 1998-02-12 | — | — | WO | disclosed |