Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 3/20 | 0.33 |
| ▸ | MAT2A | P31153 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 4/20 | 0.31 |
| ▸ | CA2 | P00918 | 4/20 | 0.31 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.31 |
| ▸ | WNT3A | P56704 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 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 | |
|---|---|---|---|---|
| SCHEMBL31295508 | 0.81 | CYP3A4 (0.47) | CYP3A4CYP2B6MAOB | |
| SCHEMBL31295563 | 0.78 | PTGS2 (0.40) | CYP3A4CYP2B6MAOBCTNNB1WNT3A | |
| SCHEMBL31295576 | 0.74 | CYP3A4 (0.47) | CYP3A4CYP2B6 | |
| SCHEMBL2607415 | 0.68 | HTR1B (0.49) | FFAR1HTR1BCA12CA2CTNNB1 | |
| SCHEMBL19706940 | 0.65 | HTR1B (0.46) | FFAR1HTR1BCA12CA2CTNNB1 | |
| Butane SCHEMBL827501 | 0.63 | HTR1B (0.47) | FFAR1HTR1BCA12CA2CTNNB1 | |
| SCHEMBL16844538 | 0.62 | UGT2B7 (0.50) | FFAR1HTR1BCTNNB1WNT3ACYP2A6 | |
| SCHEMBL31295594 | 0.62 | UGT2B7 (0.50) | FFAR1HTR1BCTNNB1WNT3ACYP2A6 | |
| SCHEMBL15039440 | 0.62 | HTR1B (0.46) | FFAR1HTR1BCA12CA2CTNNB1 | |
| SCHEMBL28459447 | 0.62 | HTR1B (0.46) | FFAR1HTR1BCA12CA2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119118931-A | Barbituric acid derivative and preparation method thereof | 武汉绿合医药科技有限公司 | 2024-12-13 | — | — | CN | disclosed |