Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SLC9A3 | P48764 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL25086366 | 0.84 | ALDH1A1 (0.43) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD | |
| SCHEMBL11114523 | 0.80 | ALDH1A1 (0.54) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD | |
| SCHEMBL3349457 | 0.77 | GRIA2 (0.57) | CYP1A2 | |
| SCHEMBL8257459 | 0.76 | HPGD (0.51) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD | |
| SCHEMBL8262713 | 0.75 | ALDH1A1 (0.49) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD | |
| SCHEMBL11142367 | 0.74 | ALDH1A1 (0.74) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL3878146 | 0.74 | ALDH1A1 (0.47) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD | |
| SCHEMBL23519579 | 0.74 | OPRD1 (0.41) | ALDH1A1CYP2C19CYP1A2GAAMEN1 | |
| SCHEMBL12051770 | 0.72 | PKM (0.60) | CYP3A4CYP2C9ALDH1A1HPGDCYP2C19 | |
| SCHEMBL20366827 | 0.72 | ALDH1A1 (0.49) | CYP3A4CYP2C9AKR1C3ALDH1A1HPGD |
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-2021115375-A1 | NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF | 四川海思科制药有限公司 | 2021-06-17 | — | — | WO | disclosed |