Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CES2 | O00748 | 3/20 | 0.36 |
| ▸ | CES1 | P23141 | 3/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| Tetrabuthylammonium SCHEMBL106854 | 0.86 | TSHR (0.47) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL3702709 | 0.81 | TSHR (0.44) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL107740 | 0.80 | KDM4E (0.59) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL28459959 | 0.80 | TSHR (0.42) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL106856 | 0.80 | ALDH1A1 (0.47) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL23539134 | 0.79 | TSHR (0.41) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL1684318 | 0.79 | HPGD (0.51) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL7188512 | 0.79 | MAPT (0.42) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL29420045 | 0.79 | ALDH1A1 (0.52) | TSHRCYP3A4TP53MAPK1ALDH1A1 | |
| Tetrabuthylammonium SCHEMBL23522665 | 0.79 | HDAC3 (0.49) | TSHRCYP3A4TP53MAPK1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0658533-B1 | Process for the oxidation of primary and secondary alcohols to aldehydes and ketones and for the oxidation of 1,2-diols to alpha-ketols and alpha-diketones | SIGMA TAU IND FARMACEUTI (IT) | 1998-04-15 | — | — | EP | disclosed |
| US-5510538-A | USING O-IODOXYBENZOIC ACID AS OXIDIZING AGENT | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 1996-04-23 | — | — | US | disclosed |
| EP-0658533-A1 | Process for the oxidation of primary and secondary alcohols to aldehydes and ketones and for the oxidation of 1,2-diols to alpha-ketols and alpha-diketones | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 1995-06-21 | — | — | EP | disclosed |