Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | RHOA | P61586 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.37 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28030373 | 0.93 | CYP3A4 (0.56) | CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL7113446 | 0.85 | CYP3A4 (0.49) | CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL6032361 | 0.83 | L3MBTL1 (0.47) | CYP3A4NPSR1SMN1; SMN2TSHRKDM4E | |
| SCHEMBL8973261 | 0.82 | ALDH1A1 (0.58) | CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL878244 | 0.82 | CYP3A4 (0.49) | CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL3266396 | 0.82 | CYP3A4 (0.49) | CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL11128484 | 0.81 | CYP3A4 (0.47) | CYP3A4NPSR1PKMSMN1; SMN2ALDH1A1 | |
| SCHEMBL31424955 | 0.80 | PKM (0.57) | PKMSMN1; SMN2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL31424953 | 0.80 | PKM (0.57) | PKMSMN1; SMN2ALDH1A1TSHRHSD17B10 | |
| SCHEMBL6878047 | 0.80 | PKM (0.57) | PKMSMN1; SMN2ALDH1A1TSHRHSD17B10 |
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-119192221-A | Method for synthesizing bryoid A ring fragment key intermediate and A ring C1-C14 fragment | 四川大学 | 2024-12-27 | — | — | CN | disclosed |