Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KCNQ2 | O43526 | 3/20 | 0.45 |
| ▸ | CRHBP | P24387 | 2/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | KDM4A | O75164 | 1/20 | 0.44 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11480585 | 0.88 | TAAR1 (0.52) | TAAR1POLBLMNASMN1; SMN2CYP3A4 | |
| SCHEMBL27287022 | 0.85 | EPHX1 (0.58) | TAAR1LMNACYP3A4CYP2D6SLC6A2 | |
| SCHEMBL11489742 | 0.84 | MMP8 (0.54) | TAAR1ALDH1A1SMN1; SMN2CYP2D6SLC6A2 | |
| SCHEMBL28690092 | 0.83 | LMNA (0.54) | TAAR1ALDH1A1LMNAHSD17B10HTT | |
| Hydrochloric Acid SCHEMBL27806283 | 0.81 | TDP1 (0.56) | TAAR1ALDH1A1LMNAHSD17B10SMN1; SMN2 | |
| SCHEMBL28048066 | 0.80 | HIF1A (0.63) | TAAR1ALDH1A1LMNASMN1; SMN2SLC6A3 | |
| SCHEMBL4935067 | 0.79 | LMNA (0.61) | ALDH1A1POLBLMNAHSD17B10KCNQ2 | |
| SCHEMBL28044003 | 0.78 | ALDH1A1 (0.45) | ALDH1A1POLBLMNAHSD17B10CRHBP | |
| SCHEMBL2049579 | 0.74 | ALDH1A1 (0.66) | ALDH1A1POLBLMNAKCNQ2CRHBP | |
| SCHEMBL27770637 | 0.74 | CYP2C19 (0.48) | ALDH1A1POLBLMNAHSD17B10KCNQ2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109721521-A | A kind of preparation method of optical activity clausenamide ketone and its derivative | 广东药科大学 | 2019-05-07 | — | — | CN | claimed |
| CN-109721521-A | A kind of preparation method of optical activity clausenamide ketone and its derivative | 广东药科大学 | 2019-05-07 | — | — | CN | disclosed |
| CN-109627199-A | A kind of optical activity clausenamide ketone derivatives and its application | 广东药科大学 | 2019-04-16 | — | — | CN | disclosed |