Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12486353 | 1.00 | PTGS2 (0.49) | PTGS2AKR1C3AKR1C2AKR1C1MEN1 | |
| SCHEMBL12486822 | 0.74 | NQO2 (0.47) | PTGS2MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL27516701 | 0.73 | TSHR (0.36) | PTGS2LMNANPSR1MTNR1AMTNR1B | |
| SCHEMBL2544347 | 0.72 | PTPN1 (0.48) | MEN1KMT2ALMNAPOLB | |
| SCHEMBL14045283 | 0.71 | AKR1C3 (0.55) | PTGS2AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL1486709 | 0.69 | MTNR1A (0.51) | AKR1C1MEN1KMT2AMTNR1AMTNR1B | |
| SCHEMBL9848407 | 0.67 | MTNR1A (0.49) | AKR1C1MEN1KMT2AMTNR1AMTNR1B | |
| Methanesulfonic Acid Ethyl Ester SCHEMBL27549033 | 0.67 | KMT2A (0.41) | PTGS2KMT2ACYP1A2CYP2C19 | |
| SCHEMBL28483644 | 0.66 | PTGS2 (0.44) | PTGS2MEN1KMT2ALMNACYP1A2 | |
| SCHEMBL9859922 | 0.66 | ESR1 (0.67) | PTGS2MEN1KMT2AMAPTPOLB |
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-2012117421-A1 | HISTONE DEACETYLASE INHIBITORS | ORCHID RESEARCH LABORATORIES LTD (IN) | 2012-09-07 | — | — | WO | disclosed |