Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MMP13 | P45452 | 3/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | MMP9 | P14780 | 1/20 | 0.48 |
| ▸ | BMP1 | P13497 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9765306 | 0.81 | KCNA5 (0.55) | ALDH1A1POLBKCNA5ATML3MBTL1 | |
| SCHEMBL9765264 | 0.81 | KCNA5 (0.55) | ALDH1A1POLBKCNA5ATML3MBTL1 | |
| SCHEMBL29207034 | 0.80 | ALDH1A1 (0.65) | ALDH1A1POLBMMP13HSD17B10MMP9 | |
| SCHEMBL8894902 | 0.79 | HSD17B10 (0.49) | ALDH1A1POLBMMP13HSD17B10ATM | |
| SCHEMBL28617908 | 0.78 | ALDH1A1 (0.67) | ALDH1A1POLBHSD17B10MMP9CYP2C19 | |
| SCHEMBL29163156 | 0.78 | MMP2 (0.58) | MMP13HSD17B10MMP9 | |
| SCHEMBL29183281 | 0.78 | MMP2 (0.58) | MMP13HSD17B10MMP9 | |
| SCHEMBL7410702 | 0.78 | PDE4A (0.67) | ALDH1A1POLBKCNA5ATML3MBTL1 | |
| SCHEMBL8895359 | 0.77 | HSD17B10 (0.49) | ALDH1A1POLBMMP13HSD17B10HDAC1 | |
| SCHEMBL6653350 | 0.77 | FBP1 (0.49) | ALDH1A1ATML3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117658945-A | Synthesis method of persulfate-induced alkylation modified nitrogen heterocyclic compound | 浙江工业大学 | 2024-03-08 | — | — | CN | disclosed |
| CN-117645581-A | Method for synthesizing series of functional groups of photocatalytic inert C (sp 3) -H bond | 浙江工业大学台州研究院 | 2024-03-05 | — | — | CN | disclosed |