Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.42 |
| ▸ | PLK1 | P53350 | 2/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | TEK | Q02763 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MKNK2 | Q9HBH9 | 4/20 | 0.37 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.37 |
| ▸ | MGLL | Q99685 | 1/20 | 0.37 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6128762 | 0.94 | NPC1 (0.43) | KDRPLK1PTK2AURKBAKT1 | |
| SCHEMBL2679375 | 0.86 | HDAC3 (0.41) | KDRAURKBAKT1TEKMKNK1 | |
| SCHEMBL6128802 | 0.83 | HDAC3 (0.43) | KDRAURKBTEKTP53MKNK1 | |
| SCHEMBL2678820 | 0.82 | MEN1 (0.42) | MKNK1MGLLHDAC3NCOR1HDAC2 | |
| SCHEMBL2678140 | 0.81 | HDAC3 (0.46) | PKMHDAC3NCOR1HDAC2MEN1 | |
| SCHEMBL2679120 | 0.80 | HDAC3 (0.38) | AKT1HDAC3NCOR1HDAC2HTT | |
| SCHEMBL2678111 | 0.80 | MTNR1A (0.40) | HDAC3NCOR1HDAC2 | |
| SCHEMBL2678527 | 0.79 | MTNR1A (0.39) | KDRTEKHDAC3NCOR1HDAC2 | |
| SCHEMBL6128580 | 0.79 | HDAC3 (0.40) | MKNK1MGLLHDAC3NCOR1HDAC2 | |
| SCHEMBL2175597 | 0.78 | HDAC3 (0.39) | AKT1HDAC3NCOR1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8173808-B2 | Substituted naphthalenyl-pyrimidine compounds | ARQULE, INC. (US) | 2012-05-08 | — | — | US | claimed |