Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 7/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28259098 | 0.87 | ALDH1A1 (0.60) | ALDH1A1MAPTKMT2AMEN1CYP1A2 | |
| SCHEMBL28259077 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL595873 | 0.80 | ALDH1A1 (0.86) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL9650808 | 0.80 | ALDH1A1 (0.86) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL28853951 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPTKMT2AMEN1CYP1A2 | |
| SCHEMBL28001315 | 0.79 | ALDH1A1 (0.69) | ALDH1A1MAPTKMT2AMEN1CYP1A2 | |
| SCHEMBL8986919 | 0.78 | ALDH1A1 (0.60) | ALDH1A1MAPTKMT2AMEN1CYP1A2 | |
| Ammonia Solution, Strong SCHEMBL1663962 | 0.78 | ALDH1A1 (0.82) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| SCHEMBL9065915 | 0.78 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1CYP3A4 | |
| 4-Nitroaniline SCHEMBL16451 | 0.78 | ALDH1A1 (1.00) | ALDH1A1MAPTKMT2AMEN1CYP3A4 |
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-108911992-A | A kind of Triamine monomer and its preparation method and application | 湖南工业大学 | 2018-11-30 | — | — | CN | disclosed |