Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.47 |
| ▸ | CTSE | P14091 | 1/20 | 0.47 |
| ▸ | BACE1 | P56817 | 1/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 8/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL20996019 | 1.00 | CTSD (0.47) | CTSDCTSEBACE1OPRL1ALDH1A1 | |
| SCHEMBL29417834 | 0.77 | GPR119 (0.43) | CTSDCTSEBACE1GPR119HCAR1 | |
| SCHEMBL29417833 | 0.72 | DDB1 (0.42) | CTSDCTSEBACE1GPR119HCAR1 | |
| SCHEMBL19706828 | 0.72 | PIK3CA (0.47) | CTSDCTSEBACE1ALDH1A1GPR119 | |
| SCHEMBL1198502 | 0.72 | CCR5 (0.46) | CTSDCTSEBACE1ALDH1A1GPR119 | |
| Methane SCHEMBL19706835 | 0.71 | PIK3CA (0.46) | CTSDCTSEBACE1ALDH1A1GPR119 | |
| SCHEMBL1711818 | 0.70 | PIK3CA (0.49) | CTSDCTSEBACE1ALDH1A1GPR119 | |
| SCHEMBL27101023 | 0.69 | PIK3CA (0.48) | CTSDCTSEBACE1ALDH1A1GPR119 | |
| SCHEMBL16992253 | 0.69 | MAPT (0.50) | CTSDCTSEBACE1ALDH1A1GPR119 | |
| SCHEMBL31639499 | 0.69 | GPR119 (0.50) | ALDH1A1GPR119HTTPIK3CAKDM4E |
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-2022051567-A1 | SUBSTITUTED PYRIDO[2,3-B]PYRAZINONES AND REUATED COMPOUNDS AND THEIR USE IN TREATING MEDICAU CONDITIONS | Ikena Oncology, Inc. (US) | 2022-03-10 | — | — | WO | disclosed |