Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | PLAU | P00749 | 1/20 | 0.55 |
| ▸ | HPN | P05981 | 1/20 | 0.55 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 6/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28307947 | 0.91 | PLAU (0.48) | ALDH1A1PLAUHPNSMN1; SMN2MMP9 | |
| SCHEMBL14544528 | 0.81 | ALDH1A1 (0.67) | ALDH1A1PLAUHPNCTSLMMP9 | |
| SCHEMBL28572871 | 0.80 | CYP2C19 (0.51) | ALDH1A1PLAUHPNCTSLMMP9 | |
| SCHEMBL14519844 | 0.79 | ALDH1A1 (0.68) | ALDH1A1PLAUHPNCTSLMMP9 | |
| SCHEMBL4059194 | 0.76 | ALDH1A1 (0.49) | ALDH1A1PLAUHPNCTSLCYP1A2 | |
| SCHEMBL14534184 | 0.74 | CTSL (0.67) | ALDH1A1CTSLMMP9POLBTDP1 | |
| SCHEMBL20335144 | 0.74 | CTSL (0.67) | ALDH1A1CTSLMMP9POLBTDP1 | |
| SCHEMBL20335146 | 0.74 | CTSL (0.67) | ALDH1A1CTSLMMP9POLBTDP1 | |
| SCHEMBL8920514 | 0.73 | CTSL (0.53) | ALDH1A1PLAUHPNCTSLMMP9 | |
| SCHEMBL8920506 | 0.73 | CTSL (0.53) | ALDH1A1PLAUHPNCTSLMMP9 |
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 |