Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.71 |
| ▸ | TSHR | P16473 | 5/20 | 0.71 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.71 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.62 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | AHR | P35869 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26976338 | 0.98 | CYP3A4 (0.74) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL23137319 | 0.87 | CYP3A4 (0.90) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL8954009 | 0.87 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL12101816 | 0.85 | CYP3A4 (0.74) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL49382 | 0.84 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| Orthotolidine SCHEMBL29365329 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| Orthotolidine SCHEMBL29386552 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| Orthotolidine SCHEMBL49414 | 0.84 | CYP3A4 (1.00) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL8872306 | 0.84 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRTDP1MAPK1 | |
| SCHEMBL29365311 | 0.84 | CYP3A4 (0.94) | CYP3A4ALDH1A1TSHRTDP1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-11858814-B2 | Reticulation of macromolecules into crystalline networks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-01-02 | — | — | US | disclosed |