Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | CTSD | P07339 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL499681 | 1.00 | SMN1; SMN2 (0.38) | SMN1; SMN2HPGDCTSLLMNATDP1 | |
| SCHEMBL498943 | 0.79 | HTR2C (0.38) | CTSLLMNAMLNRABCB11CTSD | |
| SCHEMBL2323498 | 0.75 | PKM (0.30) | SMN1; SMN2 | |
| SCHEMBL4412656 | 0.75 | PKM (0.30) | SMN1; SMN2 | |
| SCHEMBL2326420 | 0.75 | PKM (0.30) | SMN1; SMN2 | |
| SCHEMBL17474239 | 0.71 | CTSL (0.45) | SMN1; SMN2HPGDCTSLLMNATDP1 | |
| SCHEMBL27394971 | 0.67 | CYP3A4 (0.50) | CTSLCTSSALDH1A1CYP3A4 | |
| SCHEMBL620643 | 0.67 | CYP1A2 (0.52) | SMN1; SMN2CTSLLMNACTSSALDH1A1 | |
| SCHEMBL620791 | 0.67 | CYP1A2 (0.52) | SMN1; SMN2CTSLLMNACTSSALDH1A1 | |
| SCHEMBL620790 | 0.67 | CYP1A2 (0.52) | SMN1; SMN2CTSLLMNACTSSALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8106221-B2 | Renin inhibitors | VITAE PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |