Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9559694 | 0.86 | NR1H2 (0.30) | — | |
| SCHEMBL9559676 | 0.86 | TDP1 (0.41) | TDP1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL9559523 | 0.86 | TDP1 (0.41) | TDP1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL9559554 | 0.79 | NPC1 (0.38) | KMT2ATSHRHSD17B10ALDH1A1NPC1 | |
| SCHEMBL9559562 | 0.77 | TDP1 (0.41) | TDP1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL9559690 | 0.76 | MAPT (0.39) | TDP1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL1547683 | 0.74 | NQO1 (0.74) | TDP1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL9559556 | 0.72 | NQO1 (0.41) | TDP1CYP1A2NQO1MAOBKMT2A | |
| Ammonia Solution, Strong SCHEMBL322908 | 0.72 | NQO1 (0.70) | TDP1CYP1A2CYP2D6CYP2C19L3MBTL1 | |
| SCHEMBL9559638 | 0.70 | TAAR1 (0.31) | — |
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-5235061-A | 2,4-disilaalkanes; agriculture | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1993-08-10 | — | — | US | disclosed |