Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SETD2 | Q9BYW2 | 5/20 | 0.38 |
| ▸ | NSD2 | O96028 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615218 | 0.82 | SETD2 (0.37) | SETD2NSD2ALDH1A1MALT1ACKR3 | |
| SCHEMBL16615217 | 0.78 | KCNQ2 (0.44) | ALDH1A1KDM4EMAPTCNR1KCNQ2 | |
| SCHEMBL17918850 | 0.73 | SETD2 (0.48) | SETD2NSD2MALT1ACKR3MAPT | |
| SCHEMBL16615221 | 0.73 | L3MBTL1 (0.40) | ALDH1A1KDM4EMAPT | |
| SCHEMBL20859460 | 0.69 | SETD2 (0.46) | SETD2NSD2MALT1ACKR3IDO1 | |
| SCHEMBL16615102 | 0.67 | MAPT (0.44) | ALDH1A1KDM4EMAPTTDP1 | |
| SCHEMBL16615268 | 0.67 | KDM4E (0.41) | KDM4E | |
| SCHEMBL25037760 | 0.66 | SETD2 (0.79) | SETD2NSD2 | |
| SCHEMBL17969758 | 0.65 | EGFR (0.39) | — | |
| SCHEMBL16615305 | 0.65 | KMT2A (0.40) | ALDH1A1KDM4E |
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-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |