Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.63 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16242051 | 0.82 | NPC1 (0.56) | TDP1ALDH1A1L3MBTL1LMNANPC1 | |
| SCHEMBL3726778 | 0.81 | TDP1 (0.63) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL3992905 | 0.78 | MEN1 (0.50) | KMT2AALDH1A1LMNATSHRNPC1 | |
| Benzyl Benzoate SCHEMBL3038 | 0.77 | KMT2A (1.00) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL4196344 | 0.77 | TDP1 (0.59) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzyl Benzoate SCHEMBL8010992 | 0.77 | KMT2A (1.00) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL5597240 | 0.77 | TDP1 (0.59) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| Benzyl Benzoate SCHEMBL901058 | 0.77 | KMT2A (1.00) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL5367985 | 0.77 | TDP1 (0.59) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL2701981 | 0.77 | ALDH1A1 (0.61) | TDP1KMT2ASLC6A2SLC6A3ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4310551-A | Pharmacologically active substituted 1,2,4-triazines | DIAMOND SHAMROCK CORPORATION (US) | 1982-01-12 | — | — | US | disclosed |
| US-4157392-A | HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS | DIAMOND SHAMROCK CORPORATION (US) | 1979-06-05 | — | — | US | disclosed |