Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 4/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | WNT1 | P04628 | 2/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1980283 | 0.92 | AURKA (0.48) | AURKAAURKBPIM1PIM3PIM2 | |
| SCHEMBL12597231 | 0.90 | NEK1 (0.52) | NEK1PIM1PIM3PIM2CHEK1 | |
| SCHEMBL1980607 | 0.88 | IDO1 (0.47) | PIM1PIM3PIM2TLR8TLR7 | |
| SCHEMBL1984328 | 0.87 | MTNR1A (0.45) | NEK1AURKAAURKBPIM1PIM3 | |
| SCHEMBL1980257 | 0.85 | PIM1 (0.52) | PIM1PIM3PIM2TLR8TLR7 | |
| SCHEMBL12597622 | 0.85 | TLR7 (0.43) | PIM1WNT1TLR8TLR7CYP1A2 | |
| SCHEMBL12597839 | 0.83 | FYN (0.44) | PIM1PIM3PIM2TGFBR1CYP1A2 | |
| SCHEMBL12597446 | 0.83 | FFAR1 (0.44) | NEK1PIM1PIM3PIM2CHEK1 | |
| SCHEMBL1561203 | 0.82 | CHEK1 (0.45) | AURKAAURKBCNR1PIM1PIM3 | |
| SCHEMBL12597452 | 0.82 | PIM1 (0.49) | PIM1PIM3PIM2TLR8TLR7 |
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-2011070299-A1 | TRI-SUBSTITUTED 9H-BETA-CARBOLINE (OR 9H-PYRIDO[3,4-B]INDOLE) DERIVATIVES, PREPARATION OF SAME AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2011-06-16 | — | — | WO | disclosed |