Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | ITK | Q08881 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | HAT1 | O14929 | 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 | |
|---|---|---|---|---|
| SCHEMBL2856077 | 0.89 | KDM4E (0.48) | KDM4EMAPTHTTTSHRFLT3 | |
| SCHEMBL13708342 | 0.86 | TLR7 (0.44) | KDM4EMAPTHTTTSHRFLT3 | |
| SCHEMBL17782633 | 0.75 | TSHR (0.56) | KDM4EMAPTHTTTSHRFLT3 | |
| SCHEMBL7553695 | 0.74 | KDM4E (0.57) | KDM4EMAPTHTTFLT3RAB9A | |
| SCHEMBL2859208 | 0.73 | ACACB (0.43) | — | |
| SCHEMBL29336363 | 0.72 | KDM4E (0.60) | KDM4EMAPTHTTTSHRFLT3 | |
| SCHEMBL2858113 | 0.72 | PTPN11 (0.47) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL2855523 | 0.70 | PTPN11 (0.43) | TSHRALDH1A1MMP2MMP9MMP1 | |
| SCHEMBL2853695 | 0.68 | PTPN11 (0.40) | TSHRNPC1ALDH1A1LMNAMMP2 | |
| SCHEMBL7462506 | 0.65 | KDM4E (0.58) | KDM4EHTTTSHRFLT3RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1654247-B1 | ALKYNYL ARYL CARBOXAMIDES | MERCK SERONO SA (CH) | 2010-01-20 | — | — | EP | claimed |