Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ARG2 | P78540 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.36 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.36 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.36 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.36 |
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.33 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL6434374 | 0.81 | ALDH1A1 (0.36) | MAOBCYP1A2 | |
| SCHEMBL3263036 | 0.80 | CHRNB2 (0.41) | CYP1A2 | |
| SCHEMBL6668054 | 0.76 | MAOB (0.56) | MAOBCA1CA2ARG2KCNH2 | |
| SCHEMBL8074747 | 0.73 | MAOB (0.71) | MAOBCA1CA2ARG2KCNH2 | |
| SCHEMBL8074750 | 0.73 | MAOB (0.71) | MAOBCA1CA2ARG2KCNH2 | |
| SCHEMBL4631652 | 0.72 | GAA (0.43) | CA1CA2GRIN2DGRIN3BGRIN1 | |
| SCHEMBL6742362 | 0.72 | ALDH1A1 (0.44) | MAOBCYP1A2MAPK1 | |
| SCHEMBL473073 | 0.72 | ALDH1A1 (0.44) | MAOBCYP1A2MAPK1 | |
| Allylbenzene SCHEMBL10325179 | 0.71 | MAOB (0.60) | MAOBCA1CA2ARG2GAA | |
| Allylbenzene SCHEMBL2478260 | 0.71 | MAOB (0.60) | MAOBCA1CA2ARG2GAA |
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-2006033795-A2 | SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH | WYETH (US) | 2006-03-30 | — | — | WO | disclosed |