Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | BLM | P54132 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | F12 | P00748 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 1/20 | 0.34 |
| ▸ | F3 | P13726 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6509810 | 0.70 | CES1 (0.44) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL28288711 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL28018043 | 0.69 | TAAR1 (0.41) | CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL28220158 | 0.67 | CES1 (0.41) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL4632451 | 0.67 | KDM4E (0.40) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL1221924 | 0.66 | ALDH1A1 (0.48) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL600593 | 0.66 | CYP19A1 (0.48) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL27723868 | 0.65 | CYP1B1 (0.40) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL88322 | 0.65 | ALDH1A1 (0.46) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 | |
| SCHEMBL3930255 | 0.64 | ALDH1A1 (0.34) | ALDH1A1CYP2C19L3MBTL1CYP1A2CYP2C9 |
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-108484868-B | Self-healing material based on polyurethane and preparation method thereof | 苏州大学 | 2020-12-01 | — | — | CN | disclosed |