Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.76 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.76 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.76 |
| ▸ | LMNA | P02545 | 3/20 | 0.76 |
| ▸ | MAPT | P10636 | 3/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 2/20 | 0.76 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.76 |
| ▸ | THPO | P40225 | 2/20 | 0.76 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.69 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.69 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.69 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.69 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.69 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.69 |
| ▸ | CCKBR | P32239 | 1/20 | 0.69 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL11011759 | 0.93 | MEN1 (0.82) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7159699 | 0.91 | ADORA3 (0.81) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL30357961 | 0.91 | ADORA3 (0.81) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5333611 | 0.90 | MEN1 (0.87) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7272138 | 0.89 | MEN1 (0.76) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7266605 | 0.89 | MEN1 (0.76) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7421240 | 0.89 | MEN1 (0.76) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7300416 | 0.88 | MEN1 (0.74) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL7300438 | 0.88 | MEN1 (0.74) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9765754 | 0.88 | MEN1 (0.77) | MEN1CYP1A2CYP3A4CYP2C9CYP2C19 |
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-113069453-A | Co-amorphous substance containing nimodipine and irbesartan, preparation method and application thereof | 沈阳药科大学 | 2021-07-06 | — | — | CN | disclosed |