Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.58 |
| ▸ | CA2 | P00918 | 6/20 | 0.54 |
| ▸ | CA1 | P00915 | 5/20 | 0.54 |
| ▸ | CA12 | O43570 | 3/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL12678483 | 0.86 | CYP19A1 (0.60) | CYP19A1ALDH1A1SMN1; SMN2HTTMAOB | |
| SCHEMBL4636628 | 0.79 | HPGDS (0.49) | CYP19A1CA2CA1CA12CA7 | |
| SCHEMBL25630182 | 0.79 | CA2 (0.50) | CYP19A1CA2CA1CA12ALDH1A1 | |
| SCHEMBL10131961 | 0.78 | NOS1 (0.51) | CYP19A1ALDH1A1MAOBLOXL2 | |
| SCHEMBL15899840 | 0.77 | CA2 (0.61) | CYP19A1CA2CA1CA12CA7 | |
| Acetic Acid SCHEMBL27810397 | 0.77 | CA12 (0.79) | CA2CA1CA12CA7CA14 | |
| SCHEMBL4636718 | 0.77 | CA2 (0.61) | CYP19A1CA2CA1CA12CA7 | |
| SCHEMBL8646446 | 0.77 | HDAC1 (0.57) | CYP19A1ALDH1A1MAOB | |
| SCHEMBL27655503 | 0.76 | MAPK14 (0.47) | CYP19A1CA2CA1CA12ALDH1A1 | |
| SCHEMBL5473408 | 0.76 | MAOB (0.54) | ALDH1A1SMN1; SMN2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1937652-B1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMA INC (US) | 2014-07-30 | — | — | EP | claimed |