Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28854844 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL26276680 | 0.93 | ALDH1A1 (0.46) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL28854956 | 0.89 | NPC1 (0.44) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL28854859 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL26276655 | 0.89 | NPC1 (0.44) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL26276821 | 0.89 | ALDH1A1 (0.44) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL14989469 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL28854869 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL28645682 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL17712318 | 0.87 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE |
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-114634529-A | Fluororeiciclovir and synthesis method thereof | 中国科学院大连化学物理研究所 | 2022-06-17 | — | — | CN | disclosed |