Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ARG2 | P78540 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Allylbenzene SCHEMBL27636637 | 0.89 | MAOB (0.57) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL318129 | 0.89 | MAOB (0.57) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL2300303 | 0.86 | MAOB (0.50) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL169220 | 0.86 | MAOB (0.55) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL10325179 | 0.86 | MAOB (0.60) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL2478260 | 0.86 | MAOB (0.60) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL21274 | 0.86 | — | — | |
| Allylbenzene SCHEMBL1724378 | 0.84 | MAOB (0.48) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Allylbenzene SCHEMBL27401716 | 0.84 | MAOB (0.48) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 | |
| Naphthalene SCHEMBL15918862 | 0.84 | MAOB (0.52) | MAOBCNR2CYP3A4ALDH1A1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5430149-A | 5-[(4-bromophenyl)methyl]4-pyrimidinones | SYNTHELABO (FR) | 1995-07-04 | — | — | US | disclosed |
| US-5312920-A | Process for preparing 4-pyrimidinones | SYNTHELABO (FR) | 1994-05-17 | — | — | US | disclosed |