Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1224584 | 0.86 | ALDH1A1 (0.66) | ALDH1A1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL980151 | 0.83 | MAOA (0.56) | ALDH1A1MAPTSMN1; SMN2LMNATACR2 | |
| SCHEMBL30354972 | 0.80 | CYP19A1 (0.55) | ALDH1A1KMT2ASMN1; SMN2NOS3NOS1 | |
| SCHEMBL13642585 | 0.80 | SMN1; SMN2 (0.59) | ALDH1A1KMT2AMEN1SMN1; SMN2NOS3 | |
| SCHEMBL26965063 | 0.80 | ALDH1A1 (0.47) | ALDH1A1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL29538704 | 0.79 | LRRK2 (0.50) | ALDH1A1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL6963969 | 0.78 | BRD4 (0.48) | ALDH1A1KMT2AMEN1SMN1; SMN2LMNA | |
| SCHEMBL7865894 | 0.77 | MAPK1 (0.56) | ALDH1A1KMT2AMAPTMEN1SMN1; SMN2 | |
| SCHEMBL13814708 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KMT2ASMN1; SMN2NOS3NOS1 | |
| SCHEMBL15084393 | 0.77 | HTR1A (0.61) | ALDH1A1KMT2AMAPTMEN1HTR1A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999048490-A1 | ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE | ALLOS THERAPEUTICS, INC. (US) | 1999-09-30 | — | — | WO | claimed |
| US-6214879-B1 | Allosteric inhibitors of pyruvate kinase | VIRGINIA COMMONWEALTH UNIVERSITY | 2001-04-10 | — | — | US | disclosed |
| WO-1999048490-A1 | ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE | ALLOS THERAPEUTICS, INC. (US) | 1999-09-30 | — | — | WO | disclosed |