Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | MLX | Q9UH92 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 8/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TACR1 | P25103 | 1/20 | 0.40 |
| ▸ | CTSG | P08311 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12949921 | 0.88 | TAAR1 (0.54) | TAAR1XIAPMLXELANECTSG | |
| SCHEMBL3174391 | 0.86 | KMT2A (0.49) | ELANEMEN1KMT2ACCR1 | |
| SCHEMBL8288957 | 0.86 | CCR1 (0.44) | CCR1 | |
| SCHEMBL12747910 | 0.85 | ELANE (0.46) | XIAPMLXELANECTSG | |
| SCHEMBL12949899 | 0.84 | ELANE (0.48) | TAAR1XIAPMLXELANECTSG | |
| SCHEMBL12949783 | 0.83 | TSHR (0.45) | TAAR1XIAPMLXELANEMEN1 | |
| SCHEMBL12949915 | 0.83 | TAAR1 (0.49) | TAAR1XIAPMLXELANECTSG | |
| SCHEMBL8287915 | 0.82 | CCR1 (0.46) | CCR1 | |
| SCHEMBL8286821 | 0.81 | ELANE (0.43) | ELANEMEN1KMT2ATACR1ATM | |
| SCHEMBL12949987 | 0.81 | TSHR (0.44) | XIAPMLXMEN1KMT2ACCR1 |
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-2005085236-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-09-15 | — | — | WO | disclosed |