Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 3/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | TSHR | P16473 | 3/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | JAK2 | O60674 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL52245 | 0.93 | ROCK2 (0.33) | CTSBCTSSCTSKCTSLCYP3A4 | |
| SCHEMBL1117758 | 0.80 | ADORA2A (0.32) | RORCCYP1A2ADORA2AADORA1JAK2 | |
| SCHEMBL9905103 | 0.68 | RORC (0.36) | CTSBCTSSCTSKCTSLRORC | |
| SCHEMBL1117763 | 0.68 | ADORA2A (0.36) | CTSBCTSSCTSKCTSLRORC | |
| SCHEMBL63988 | 0.68 | ROCK2 (0.34) | CTSBCTSSCTSKRORCADORA2A | |
| SCHEMBL51513 | 0.68 | ROCK2 (0.34) | CTSBCTSSCTSKRORCADORA2A | |
| SCHEMBL52057 | 0.67 | NPC1 (0.33) | CTSBCTSSCTSLRORCKMT2A | |
| SCHEMBL9921561 | 0.66 | TLR2 (0.38) | CTSSCTSKCTSLRORCCYP3A4 | |
| SCHEMBL2079184 | 0.66 | F13A1 (0.38) | CYP2C19ALDH1A1TSHRSMN1; SMN2MEN1 | |
| SCHEMBL52007 | 0.65 | CTSK (0.32) | CTSBCTSSCTSKCTSL |
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-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |