Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 3/20 | 0.33 |
| ▸ | CES1 | P23141 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL9133707 | 0.95 | TSHR (0.38) | TSHRHTTTDP1L3MBTL1CYP3A4 | |
| Tetrabuthylammonium SCHEMBL9134621 | 0.90 | TSHR (0.40) | TSHRHTTTDP1L3MBTL1CYP3A4 | |
| Tributylmethylammonium SCHEMBL9133712 | 0.89 | TSHR (0.41) | TSHRHTTTDP1L3MBTL1CYP3A4 | |
| Tributylmethylammonium SCHEMBL9132011 | 0.89 | TSHR (0.41) | TSHRHTTTDP1L3MBTL1CYP3A4 | |
| Cetrimonium SCHEMBL9131705 | 0.86 | DNM1 (0.41) | TSHRHTTCYP3A4TP53MAPK1 | |
| Tetrabuthylammonium SCHEMBL9130775 | 0.85 | TSHR (0.39) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Mecetronium SCHEMBL9134324 | 0.84 | HTT (0.44) | TSHRHTTCYP3A4TP53MAPK1 | |
| Tetrapropylammonium SCHEMBL9133142 | 0.84 | ALDH1A1 (0.37) | TSHRHTTTDP1L3MBTL1CYP3A4 | |
| Tetramethylammonium Ion SCHEMBL9133964 | 0.83 | ALDH1A1 (0.44) | TSHRHTTTDP1CYP3A4TP53 | |
| Cetrimonium SCHEMBL9135047 | 0.82 | ALDH1A1 (0.38) | TSHRTP53MAPK1ALDH1A1LMNA |
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-5378571-A | Toners for electrography | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-01-03 | — | — | US | disclosed |