Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 2/20 | 0.49 |
| ▸ | CA9 | Q16790 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.49 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.49 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.49 |
| ▸ | UGT1A7 | Q9HAW7 | 1/20 | 0.49 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 6/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | RARA | P10276 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL9133722 | 0.89 | CA12 (0.50) | CA2CA12CA9RAB9ASMN1; SMN2 | |
| Tetrabuthylammonium SCHEMBL9133299 | 0.89 | CA12 (0.50) | CA2CA12CA9RAB9ASMN1; SMN2 | |
| Tetrabuthylammonium SCHEMBL11739859 | 0.88 | CA2 (0.43) | CA2CA12CA9RAB9ASMN1; SMN2 | |
| Tetrabuthylammonium SCHEMBL108444 | 0.87 | RARB (0.58) | RARBTP53TSHRPLA2G4BMEN1 | |
| Tetrabuthylammonium SCHEMBL7075034 | 0.87 | RARB (0.58) | RARBTP53TSHRPLA2G4BMEN1 | |
| Tetrapentylammonium SCHEMBL9460414 | 0.86 | CA12 (0.50) | CA2CA12CA9RAB9ASMN1; SMN2 | |
| Tetrapentylammonium SCHEMBL9460737 | 0.86 | CA12 (0.50) | CA2CA12CA9RAB9ASMN1; SMN2 | |
| Tetrabuthylammonium SCHEMBL2776553 | 0.84 | LCK (0.62) | S1PR3RARBTP53TSHR | |
| SCHEMBL9460444 | 0.84 | TP53 (0.50) | CA2CA12CA9RAB9ASMN1; SMN2 | |
| SCHEMBL9460346 | 0.84 | TP53 (0.50) | CA2CA12CA9RAB9ASMN1; SMN2 |
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-5411984-A | Antitumor | VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) | 1995-05-02 | — | — | US | disclosed |