Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | PKM | P14618 | 4/20 | 0.59 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL10979799 | 0.84 | ALDH1A1 (0.65) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL11221591 | 0.75 | PKM (1.00) | ALDH1A1PKMMAPTHTTLMNA | |
| Ethyl Acetate SCHEMBL28611565 | 0.73 | PKM (0.57) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL7835848 | 0.71 | PKM (0.48) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL7835847 | 0.71 | PKM (0.48) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL8366793 | 0.70 | PKM (0.74) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL15604592 | 0.70 | NPSR1 (0.53) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL7836695 | 0.69 | ALDH1A1 (0.49) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL7836692 | 0.69 | ALDH1A1 (0.49) | ALDH1A1PKMMAPTHTTLMNA | |
| SCHEMBL19974284 | 0.69 | MAPT (1.00) | ALDH1A1PKMMAPTHTTLMNA |
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-2018053157-A1 | HEPATITIS B CORE PROTEIN MODULATORS | ASSEMBLY BIOSCIENCES, INC. (US) | 2018-03-22 | — | — | WO | disclosed |