Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL48951 | 0.89 | TSHR (0.44) | HDAC3HDAC1HDAC2CES2CES1 | |
| Phthalic Acid SCHEMBL10748199 | 0.83 | TSHR (0.46) | CES2CES1ALDH1A1KDM4ETSHR | |
| Salicylic Acid SCHEMBL8099142 | 0.83 | KDM4E (0.59) | ALDH1A1KDM4EGAATSHRHTT | |
| Phthalic Acid SCHEMBL8367523 | 0.82 | TSHR (0.47) | CES2CES1ALDH1A1KDM4ETSHR | |
| Phthalic Acid SCHEMBL31500048 | 0.82 | TSHR (0.47) | CES2CES1ALDH1A1KDM4ETSHR | |
| Tetrabuthylammonium SCHEMBL23522665 | 0.81 | HDAC3 (0.49) | HDAC3HDAC1HDAC2CES2CES1 | |
| Anthranilic Acid SCHEMBL5713336 | 0.81 | ALDH1A1 (0.51) | ALDH1A1KDM4EGAATSHRHTT | |
| Naphthoic Acid SCHEMBL29714836 | 0.79 | CNR2 (0.48) | PTPN1CNR2 | |
| N-Methylanthranilic Acid SCHEMBL9616094 | 0.79 | KDM4E (0.45) | ALDH1A1KDM4EGAATSHRHTT | |
| Naphthoic Acid SCHEMBL4441161 | 0.79 | CNR2 (0.48) | PTPN1CNR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5559147-A | CARBOXY DERIVATIVES FOR AROMATIC FLUORINE GROUPS AND BUTYL GROUPS | PHARMACHEMIE B.V. (NL) | 1996-09-24 | — | — | US | disclosed |
| EP-0700921-A1 | Aromatic fluorine-containing organotin compounds and anti-tumour compositions | PHARMACHEMIE B.V. (NL) | 1996-03-13 | — | — | EP | disclosed |