Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | DGKA | P23743 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Toluic Acid SCHEMBL5300136 | 0.90 | DGKA (0.53) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL587319 | 0.82 | ALDH1A1 (0.62) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL28135033 | 0.82 | ALDH1A1 (0.68) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL11123903 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL11124646 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL25172376 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL7094905 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL772826 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL22819559 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 | |
| SCHEMBL23832322 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRL3MBTL1TDP1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007012980-A1 | TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS | PHILIP MORRIS PRODUCTS S.A. (CH) | 2007-02-01 | — | — | WO | claimed |