Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY5R | Q15761 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | CCR8 | P51685 | 1/20 | 0.43 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL503719 | 0.85 | KDM4E (0.50) | NPY5RCYP2A6CYP1A2KDM4ELMNA | |
| SCHEMBL13411815 | 0.79 | POLB (0.33) | POLBCYP3A4 | |
| SCHEMBL29445989 | 0.78 | CYP2D6 (0.43) | CYP2D6MAPK14 | |
| SCHEMBL17283676 | 0.77 | SCN4A (0.43) | NPY5RPOLBHPGDSCYP3A4NPC1 | |
| SCHEMBL10018 | 0.77 | SCN4A (0.46) | NPY5RLMNAPOLBHPGDSCYP3A4 | |
| SCHEMBL30989132 | 0.77 | KDM4E (0.72) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL30989133 | 0.77 | KDM4E (0.72) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL1566968 | 0.77 | KDM4E (0.72) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL13458076 | 0.74 | KDM4E (0.68) | CYP2A6CYP1A2KDM4ELMNAPOLB | |
| SCHEMBL29984274 | 0.74 | KDM4E (0.68) | CYP2A6CYP1A2KDM4ELMNAPOLB |
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-1919881-B1 | 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS | SYNTA PHARMACEUTICALS CORP (US) | 2013-04-10 | — | — | EP | disclosed |