Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4608251 | 0.83 | MITF (0.43) | KDM4EALDH1A1KMT2AMEN1PKM | |
| SCHEMBL4608607 | 0.82 | ALDH1A1 (0.44) | ALDH1A1CYP2C9CYP2C19PKMHSD17B10 | |
| SCHEMBL4606968 | 0.80 | ADRB3 (0.42) | KMT2AMEN1HSD17B10MAPTLMNA | |
| SCHEMBL4605749 | 0.80 | TLR9 (0.49) | KDM4EALDH1A1CYP2C19MAPTLMNA | |
| SCHEMBL4607733 | 0.80 | POLB (0.40) | KDM4EALDH1A1KMT2AHSD17B10MAPT | |
| SCHEMBL4608590 | 0.80 | RAB9A (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL4607185 | 0.79 | ADRB3 (0.46) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL2986929 | 0.79 | ADRB2 (0.62) | CYP1A2CYP2C9CYP2C19KMT2AMEN1 | |
| SCHEMBL4607479 | 0.79 | PTK2 (0.45) | — | |
| SCHEMBL4607514 | 0.79 | ADRB3 (0.49) | KDM4EKMT2AMEN1LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945612-A2 | HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS | Orchid Research Laboratories Limited (IN) | 2008-07-23 | — | — | EP | claimed |
| WO-2007042912-A2 | HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-04-19 | — | — | WO | claimed |
| EP-1945612-A2 | HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS | Orchid Research Laboratories Limited (IN) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007042912-A2 | HETEROCYCLIC COMPOUNDS AS PSTAT3/IL-6 INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-04-19 | — | — | WO | disclosed |