Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL10110314 | 0.88 | NPC1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL1690691 | 0.88 | NPC1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL1690693 | 0.88 | NPC1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL1690800 | 0.88 | NPC1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL1690692 | 0.88 | NPC1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL1690803 | 0.88 | NPC1 (0.35) | NPC1MAPTRAB9ASMN1; SMN2HPGD | |
| SCHEMBL23070616 | 0.84 | NFE2L2 (0.39) | MAPTRAB9A | |
| SCHEMBL19617712 | 0.84 | NFE2L2 (0.39) | MAPTRAB9A | |
| SCHEMBL23948343 | 0.84 | NFE2L2 (0.39) | MAPTRAB9A | |
| SCHEMBL19617713 | 0.84 | NFE2L2 (0.39) | MAPTRAB9A |
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-2023288242-A1 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-01-19 | — | — | WO | disclosed |