Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.52 |
| ▸ | CTSK | P43235 | 4/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10788987 | 0.87 | ABCB1 (0.59) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL11517729 | 0.86 | ABCB1 (0.50) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL20901315 | 0.86 | ABCB1 (0.50) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL7404261 | 0.85 | ABCB1 (0.53) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL381080 | 0.85 | ABCB1 (0.53) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL381082 | 0.85 | ABCB1 (0.53) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL29861085 | 0.84 | ABCB1 (0.48) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL13373979 | 0.82 | L3MBTL1 (0.51) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL29670351 | 0.82 | ABCB1 (0.52) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL8276259 | 0.82 | ABCB1 (0.56) | ABCB1CTSKCTSLCTSBCTSS |
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-2011016576-A1 | ALANINE DERIVATIVES AS INHIBITORS OF APOPTOSIS PROTEINS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-02-10 | — | — | WO | disclosed |