Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | IGF1R | P08069 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ACP1 | P24666 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | RXFP3 | Q9NSD7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4782535 | 0.88 | AURKA (0.49) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4781252 | 0.85 | KDM4E (0.52) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4780633 | 0.78 | AURKA (0.49) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4795408 | 0.77 | AURKA (0.49) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4796798 | 0.75 | EGFR (0.47) | AURKAMEN1KMT2AKDM4EMAPT | |
| SCHEMBL4780820 | 0.75 | AURKA (0.44) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4780649 | 0.75 | AURKA (0.42) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4779044 | 0.75 | AURKA (0.42) | AURKAAURKBALKIGF1RMEN1 | |
| SCHEMBL4782089 | 0.75 | KDM4E (0.51) | AURKAMEN1KMT2AKDM4EMAPT | |
| SCHEMBL4796341 | 0.73 | AURKA (0.45) | AURKAAURKBALKIGF1RMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008025526-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-06 | — | — | WO | claimed |
| WO-2008025526-A1 | INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-06 | — | — | WO | disclosed |