Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.46 |
| ▸ | BCR | P11274 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CDK2AP1 | O14519 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | LYN | P07948 | 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 | |
|---|---|---|---|---|
| SCHEMBL1980602 | 0.92 | ABL1 (0.45) | NEK1ABL1BCRPIM1PIM3 | |
| SCHEMBL1979625 | 0.85 | TLR8 (0.45) | NEK1ABL1BCRPIM1PIM3 | |
| SCHEMBL1980257 | 0.84 | PIM1 (0.52) | PIM1PIM3PIM2TLR8TLR7 | |
| SCHEMBL1983423 | 0.84 | ABL1 (0.47) | ABL1BCRPIM1TLR8TLR7 | |
| SCHEMBL2214322 | 0.82 | PIM1 (0.40) | ABL1BCRPIM1PIM3PIM2 | |
| SCHEMBL1980317 | 0.82 | PDPK1 (0.49) | ABL1BCRTLR8TLR7CYP2D6 | |
| SCHEMBL1979697 | 0.82 | TLR8 (0.40) | NEK1PIM1PIM3PIM2TLR8 | |
| SCHEMBL1984174 | 0.82 | ABL1 (0.49) | ABL1BCRNPC1RAB9A | |
| SCHEMBL1979485 | 0.81 | ABL1 (0.49) | ABL1BCRTLR8TLR7KDR | |
| SCHEMBL12597452 | 0.81 | 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 |