Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 7/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29942602 | 1.00 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP | |
| SCHEMBL2947696 | 0.87 | SMN1; SMN2 (0.59) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP | |
| SCHEMBL12660048 | 0.86 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP | |
| SCHEMBL21854741 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP | |
| SCHEMBL30797177 | 0.86 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP | |
| SCHEMBL3399260 | 0.82 | GPR119 (0.47) | SMN1; SMN2LNPEPMEN1KMT2AGPR119 | |
| SCHEMBL15637209 | 0.81 | SLC6A2 (0.50) | MEN1KMT2AOPRK1 | |
| SCHEMBL31198753 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19MEN1 | |
| SCHEMBL30120062 | 0.81 | SMN1; SMN2 (0.60) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP | |
| SCHEMBL309611 | 0.81 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1RAB9ACYP2C19LNPEP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114728936-A | Bifunctional compounds for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021083949-A1 | BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER | F. HOFFMANN-LA ROCHE AG (CH) | 2021-05-06 | — | — | WO | disclosed |