Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.48 |
| ▸ | WNT1 | P04628 | 5/20 | 0.43 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | CLK2 | P49760 | 4/20 | 0.40 |
| ▸ | CLK3 | P49761 | 4/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.40 |
| ▸ | 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 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 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 | |
|---|---|---|---|---|
| SCHEMBL1982206 | 0.92 | NEK1 (0.42) | AURKAAURKBWNT1TGFBR1PIM1 | |
| SCHEMBL12597839 | 0.86 | FYN (0.44) | TGFBR1PIM1PIM3PIM2CYP1A2 | |
| SCHEMBL1979534 | 0.85 | PIM1 (0.43) | PIM1PIM3PIM2CLK2CLK3 | |
| SCHEMBL1980257 | 0.84 | PIM1 (0.52) | PIM1PIM3PIM2CLK2CLK3 | |
| SCHEMBL1980607 | 0.83 | IDO1 (0.47) | PIM1PIM3PIM2BRD4BRD2 | |
| SCHEMBL1559944 | 0.83 | AURKA (0.46) | AURKAAURKBWNT1TGFBR1PIM1 | |
| SCHEMBL12597231 | 0.82 | NEK1 (0.52) | PIM1PIM3PIM2CLK2CLK3 | |
| SCHEMBL12597452 | 0.82 | PIM1 (0.49) | PIM1PIM3PIM2CLK2CLK3 | |
| SCHEMBL1978448 | 0.81 | PIM1 (0.45) | PIM1PIM3PIM2CLK2CLK3 | |
| SCHEMBL12597622 | 0.81 | TLR7 (0.43) | WNT1PIM1CLK2CLK3DYRK1A |
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-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 |
| 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 |