Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 3/20 | 0.38 |
| ▸ | MMP9 | P14780 | 3/20 | 0.38 |
| ▸ | MMP8 | P22894 | 3/20 | 0.38 |
| ▸ | MMP13 | P45452 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28627402 | 0.91 | S1PR4 (0.43) | ALDH1A1LMNANPSR1CYP3A4CYP2D6 | |
| SCHEMBL18484534 | 0.81 | KMT2A (0.43) | ALDH1A1LMNANPSR1GAACYP3A4 | |
| SCHEMBL28632021 | 0.79 | MEN1 (0.46) | ALDH1A1LMNANPSR1CYP3A4CYP1A2 | |
| SCHEMBL18447793 | 0.77 | CYP11B1 (0.56) | ALDH1A1CYP19A1CYP11B1CYP11B2MAPT | |
| SCHEMBL18448545 | 0.76 | MAPT (0.57) | ALDH1A1LMNAGAACYP1A2CYP2D6 | |
| SCHEMBL19205753 | 0.76 | ALDH1A1 (0.38) | ALDH1A1LMNANPSR1GAACYP3A4 | |
| SCHEMBL19205752 | 0.76 | ALDH1A1 (0.38) | ALDH1A1LMNANPSR1GAACYP3A4 | |
| SCHEMBL18448239 | 0.76 | ALDH1A1 (0.49) | ALDH1A1LMNANPSR1MAPTMEN1 | |
| SCHEMBL18448730 | 0.75 | NPBWR1 (0.47) | ALDH1A1LMNANPSR1GAACYP3A4 | |
| SCHEMBL22270628 | 0.75 | LMNA (0.44) | ALDH1A1LMNANPSR1CYP3A4CYP1A2 |
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-108026050-B | Novel compounds as ROR gamma modulators | 格兰马克药品股份有限公司 | 2021-04-30 | — | — | CN | disclosed |