Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31634221 | 0.85 | AOC3 (0.56) | AOC3ALDH1A1CA1CA2CA12 | |
| SCHEMBL19043306 | 0.82 | AOC3 (0.50) | AOC3ALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL7229107 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL2169972 | 0.81 | L3MBTL1 (0.47) | AOC3ALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL27756586 | 0.81 | KMT2A (0.42) | ALDH1A1CYP1A2CYP2D6CYP2C19TSHR | |
| SCHEMBL11467192 | 0.80 | AOC3 (0.57) | AOC3L3MBTL1 | |
| SCHEMBL2634023 | 0.78 | AOC3 (0.54) | AOC3ALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL31378994 | 0.78 | AOC3 (0.54) | AOC3ALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL28193193 | 0.78 | ALDH1A1 (0.44) | AOC3ALDH1A1CYP2A6CA1CA2 | |
| SCHEMBL21988157 | 0.76 | FFAR1 (0.48) | ALDH1A1CYP2A6CA1CA2CA12 |
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-5126437-A | ALDOPHOSPHAMIDE GLYCOSIDES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL ACTIVE COMPOUNDS | BAYER AKTIENGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |