Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 10/20 | 0.40 |
| ▸ | RXRB | P28702 | 4/20 | 0.40 |
| ▸ | RXRG | P48443 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 3/20 | 0.35 |
| ▸ | RARG | P13631 | 2/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16823555 | 0.64 | ALDH1A1 (0.48) | RXRARXRBRXRGALDH1A1RARB | |
| SCHEMBL20333554 | 0.62 | GAA (0.50) | RXRARXRBRXRGALDH1A1KMT2A | |
| Terephthalic Acid SCHEMBL2790074 | 0.62 | TP53 (0.52) | RXRARXRBRXRGALDH1A1RARB | |
| Terephthalic Acid SCHEMBL3244094 | 0.59 | TSHR (0.92) | ALDH1A1SMN1; SMN2SRD5A2 | |
| SCHEMBL15666085 | 0.59 | ALDH1A1 (0.60) | ALDH1A1KMT2AMEN1KDM4EUSP2 | |
| SCHEMBL1795374 | 0.59 | ALDH1A1 (0.60) | RXRARXRBALDH1A1KMT2AMEN1 | |
| SCHEMBL9177340 | 0.59 | ALDH1A1 (0.60) | ALDH1A1RARBKMT2AMEN1KDM4E | |
| SCHEMBL1330335 | 0.59 | ALDH1A1 (1.00) | RXRARXRBALDH1A1RARBRARA | |
| SCHEMBL19901 | 0.59 | ALDH1A1 (1.00) | RXRARXRBALDH1A1RARBRARA | |
| SCHEMBL1330795 | 0.59 | ALDH1A1 (1.00) | RXRARXRBALDH1A1RARBRARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |