Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | DNM1 | Q05193 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | F13A1 | P00488 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11523478 | 0.98 | TSHR (0.52) | ALDH1A1TSHRCYP2C19CYP2C9RELA | |
| SCHEMBL7788518 | 0.96 | CYP2C9 (0.50) | ALDH1A1TSHRCYP2C19CYP2C9CA12 | |
| SCHEMBL18114372 | 0.96 | CYP2C9 (0.50) | ALDH1A1TSHRCYP2C19CYP2C9CA12 | |
| SCHEMBL3201509 | 0.96 | CYP2C9 (0.50) | ALDH1A1TSHRCYP2C19CYP2C9CA12 | |
| SCHEMBL23576162 | 0.94 | DNM1 (0.48) | ALDH1A1TSHRCYP2C9RELACA12 | |
| SCHEMBL8047263 | 0.94 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19CYP2C9RELA | |
| SCHEMBL11205918 | 0.94 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19RELACA12 | |
| SCHEMBL9322889 | 0.94 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19CYP2C9RELA | |
| SCHEMBL11743886 | 0.94 | ALDH1A1 (0.48) | ALDH1A1TSHRCYP2C19CYP2C9RELA | |
| SCHEMBL8002611 | 0.94 | CYP2C9 (0.48) | ALDH1A1TSHRCYP2C19CYP2C9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4179469-A | Preparation of amines | UOP INC. (US) | 1979-12-18 | — | — | US | disclosed |