Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10299130 | 0.90 | CYP3A4 (0.51) | CYP3A4CYP2C19ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL23886963 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2C19ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL23886508 | 0.83 | CYP3A4 (0.60) | CYP3A4CYP2C19ALDH1A1LMNAKMT2A | |
| SCHEMBL628348 | 0.77 | LMNA (0.56) | CYP3A4CYP2C19ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL15063146 | 0.77 | LMNA (0.56) | CYP3A4CYP2C19ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL6820802 | 0.76 | KDM4E (0.51) | CYP3A4CYP2C19ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL10298823 | 0.75 | CYP3A4 (0.49) | CYP3A4CYP2C19ALDH1A1KDM4ELMNA | |
| SCHEMBL6580284 | 0.74 | CYP3A4 (0.47) | CYP3A4CYP2C19ALDH1A1L3MBTL1GAA | |
| SCHEMBL15355004 | 0.74 | CHRM2 (0.49) | CYP3A4CYP2C19ALDH1A1LMNAGAA | |
| SCHEMBL10299128 | 0.74 | LMNA (0.71) | CYP3A4CYP2C19ALDH1A1KDM4ETSHR |
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-2021202796-A1 | PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-10-07 | — | — | WO | disclosed |