Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 4/20 | 0.43 |
| ▸ | EDNRA | P25101 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28587826 | 0.81 | NHERF1 (0.44) | SMN1; SMN2ALDH1A1LMNACYP2C9 | |
| SCHEMBL28585258 | 0.81 | EGFR (0.44) | SMN1; SMN2ALDH1A1HTTLMNACYP1A2 | |
| SCHEMBL28572871 | 0.79 | CYP2C19 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28580039 | 0.74 | CRHBP (0.41) | SMN1; SMN2ALDH1A1HTTEDNRALMNA | |
| SCHEMBL4059194 | 0.73 | ALDH1A1 (0.49) | ALDH1A1HTTLMNAPOLBCYP1A2 | |
| SCHEMBL28571500 | 0.71 | CNR1 (0.49) | ALDH1A1LMNA | |
| SCHEMBL28584513 | 0.69 | HPN (0.52) | ALDH1A1HTTLMNAPOLBCYP3A4 | |
| SCHEMBL7841290 | 0.69 | RAB9A (0.46) | ALDH1A1HTTPOLBNPC1CYP1A2 | |
| SCHEMBL28493442 | 0.69 | KMT2A (0.49) | SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL6373806 | 0.68 | RAB9A (0.51) | ALDH1A1HTTNPC1CYP1A2CYP3A4 |
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-110066231-B | Aza beta-substituted Morita-Baylis-Hillman type compound and synthetic method thereof | 江苏师范大学 | 2021-06-25 | — | — | CN | disclosed |