Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 7/20 | 0.49 |
| ▸ | TLR2 | O60603 | 7/20 | 0.49 |
| ▸ | FBP1 | P09467 | 5/20 | 0.43 |
| ▸ | MAOA | P21397 | 5/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | VCP | P55072 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GALR2 | O43603 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4686284 | 1.00 | TLR4 (0.49) | TLR4TLR2FBP1MAOAMAOB | |
| SCHEMBL1750919 | 0.81 | FBP1 (0.47) | TLR4TLR2FBP1MAOAMAOB | |
| SCHEMBL1750918 | 0.81 | FBP1 (0.47) | TLR4TLR2FBP1MAOAMAOB | |
| SCHEMBL14035993 | 0.73 | TLR4 (0.62) | TLR4TLR2FBP1MAOAMAOB | |
| SCHEMBL15471840 | 0.72 | FBP1 (0.53) | TLR4TLR2FBP1MAOAMAOB | |
| SCHEMBL794027 | 0.68 | FBP1 (0.63) | FBP1VCPNPC1MTORRAB9A | |
| SCHEMBL798036 | 0.68 | FBP1 (0.63) | FBP1VCPNPC1MTORRAB9A | |
| SCHEMBL14829157 | 0.68 | PYGL (0.37) | — | |
| SCHEMBL14829158 | 0.68 | PYGL (0.37) | — | |
| SCHEMBL1975634 | 0.67 | FBP1 (0.58) | FBP1VCPNPC1MTORRAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981847-A1 | SECONDARY AMINES AS RENIN INHIBITORS | Actelion Pharmaceuticals Ltd. (CH) | 2008-10-22 | — | — | EP | disclosed |
| EP-1893578-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2008-03-05 | — | — | EP | disclosed |
| WO-2007088514-A1 | SECONDARY AMINES AS RENIN INHIBITORS | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-09 | — | — | WO | disclosed |
| WO-2006129237-A2 | NOVEL PIPERIDINE CARBOXYLIC ACID AMIDE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2006-12-07 | — | — | WO | disclosed |