Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XIAP | P98170 | 5/20 | 0.48 |
| ▸ | BIRC3 | Q13489 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.40 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | BIRC2 | Q13490 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17554687 | 0.90 | XIAP (0.48) | XIAPBIRC3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2631840 | 0.89 | XIAP (0.63) | XIAPBIRC3BIRC2 | |
| SCHEMBL2115252 | 0.89 | XIAP (0.63) | XIAPBIRC3BIRC2 | |
| SCHEMBL2113962 | 0.88 | XIAP (0.46) | XIAPBIRC3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2622153 | 0.88 | XIAP (0.46) | XIAPBIRC3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2622154 | 0.87 | ALDH1A1 (0.44) | XIAPBIRC3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2115132 | 0.87 | ALDH1A1 (0.44) | XIAPBIRC3ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL2622156 | 0.83 | XIAP (0.45) | XIAPBIRC3ALDH1A1HTTBIRC2 | |
| SCHEMBL2117977 | 0.83 | XIAP (0.45) | XIAPBIRC3ALDH1A1HTTBIRC2 | |
| SCHEMBL2632146 | 0.82 | XIAP (0.65) | XIAPBIRC3BIRC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2434889-B1 | IAP INHIBITORS | TETRALOGIC BIRINAPANT UK LTD (GB) | 2016-03-09 | — | — | EP | disclosed |