Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | F2RL1 | P55085 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21872429 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21872305 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL19300116 | 0.82 | HPGD (0.44) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21872290 | 0.80 | ALDH1A1 (0.44) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL20229846 | 0.80 | ALDH1A1 (0.43) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL20154111 | 0.74 | ALDH1A1 (0.47) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27478526 | 0.74 | ALDH1A1 (0.46) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL24014177 | 0.73 | ALDH1A1 (0.50) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4509618 | 0.71 | ALDH1A1 (0.51) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL23542540 | 0.69 | ALDH1A1 (0.57) | ALDH1A1HDAC3HDAC1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3419978-B1 | PYRAZOLO[1,5-A]PYRAZIN-4-YL DERIVATIVES AS JAK-INHIBITORS | PFIZER (US) | 2020-04-15 | — | — | EP | disclosed |