Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30133010 | 1.00 | NPC1 (0.56) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL24784177 | 0.92 | ACHE (0.51) | NPC1RAB9AALDH1A1LMNAMAPT | |
| SCHEMBL24784175 | 0.91 | CXCR1 (0.48) | NPC1RAB9AALDH1A1GAALMNA | |
| SCHEMBL24783591 | 0.86 | ACP1 (0.48) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL30133020 | 0.86 | ACP1 (0.48) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL30133015 | 0.86 | CXCR1 (0.51) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL24783593 | 0.86 | CXCR1 (0.51) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL24783691 | 0.86 | ACP1 (0.49) | ALDH1A1HSD17B10KDM4EHPGDGAA | |
| SCHEMBL24784179 | 0.83 | TSHR (0.57) | ALDH1A1HSD17B10KDM4EHPGDGAA | |
| SCHEMBL30133014 | 0.83 | TSHR (0.57) | ALDH1A1HSD17B10KDM4EHPGDGAA |
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-2022261296-A1 | COMPOUNDS THAT BIND NON-CANONICAL G-QUADRUPLEX STRUCTURES AND METHODS OF MAKING AND USING THE SAME | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2022-12-15 | — | — | WO | disclosed |