Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.39 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10599709 | 0.72 | ALDH1A1 (0.34) | ALDH1A1L3MBTL1GABRA1GABRB1MEN1 | |
| SCHEMBL18220718 | 0.72 | ALDH1A1 (0.37) | ALDH1A1L3MBTL1GABRA1GABRB1MEN1 | |
| SCHEMBL257363 | 0.69 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1NPC1GABRA1GABRB1 | |
| SCHEMBL4242995 | 0.68 | ALDH1A1 (0.48) | ALDH1A1L3MBTL1NPC1MEN1KMT2A | |
| SCHEMBL11227122 | 0.68 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1NPC1GABRA1GABRB1 | |
| SCHEMBL23470770 | 0.66 | — | — | |
| SCHEMBL22175191 | 0.66 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1NPC1MEN1KMT2A | |
| SCHEMBL7905164 | 0.66 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1NPC1GABRA1GABRB1 | |
| Benzophenone SCHEMBL7454682 | 0.64 | ALDH1A1 (0.88) | ALDH1A1L3MBTL1NPC1MEN1KMT2A | |
| Benzophenone SCHEMBL30537001 | 0.63 | ALDH1A1 (1.00) | ALDH1A1L3MBTL1NPC1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3181612-A1 | POLYMER CONTAINING TRIAZINE RING AND COMPOSITION CONTAINING SAME | Nissan Chemical Industries, Ltd. (JP) | 2017-06-21 | — | — | EP | disclosed |