Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.66 |
| ▸ | PKM | P14618 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.54 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.54 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL20035959 | 0.86 | ALDH1A1 (0.66) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20036034 | 0.86 | ALDH1A1 (0.66) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20036038 | 0.86 | ALDH1A1 (0.66) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20036050 | 0.84 | ALDH1A1 (0.69) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20035932 | 0.84 | ALDH1A1 (0.68) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL2703492 | 0.83 | ALDH1A1 (0.74) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL17696042 | 0.83 | ALDH1A1 (0.65) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20036033 | 0.83 | ALDH1A1 (0.67) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20035974 | 0.83 | ALDH1A1 (0.67) | ALDH1A1PKMMAPTHTTNPSR1 | |
| SCHEMBL20036032 | 0.82 | ALDH1A1 (0.66) | ALDH1A1PKMMAPTHTTNPSR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3406251-B1 | PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY | AGIOS PHARMACEUTICALS INC (US) | 2023-11-29 | — | — | EP | disclosed |
| EP-2704721-B1 | PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY | AGIOS PHARMACEUTICALS INC (US) | 2018-04-11 | — | — | EP | disclosed |