Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL421296 | 0.88 | CA12 (0.42) | SMN1; SMN2USP2AKR1C3AKR1C2KMT2A | |
| SCHEMBL425506 | 0.87 | NOTUM (0.43) | SMN1; SMN2MAPK1AKR1C3AKR1C2KMT2A | |
| SCHEMBL7888228 | 0.76 | SLC6A9 (0.47) | CYP2C19SLC6A9 | |
| SCHEMBL421721 | 0.75 | CA12 (0.52) | MAPK1USP2AKR1C3AKR1C2LMNA | |
| SCHEMBL423901 | 0.74 | GPR35 (0.41) | CYP3A4USP2AKR1C3AKR1C2MAPT | |
| SCHEMBL14817465 | 0.74 | NOTUM (0.51) | AKR1C3AKR1C2KMT2ALMNAMEN1 | |
| SCHEMBL9724303 | 0.73 | CYP3A4 (0.50) | SMN1; SMN2CYP3A4MAPK1USP2KMT2A | |
| SCHEMBL1105439 | 0.71 | HPGD (0.43) | CYP3A4USP2AKR1C3AKR1C2KMT2A | |
| SCHEMBL30951357 | 0.71 | HPGD (0.43) | CYP3A4USP2AKR1C3AKR1C2KMT2A | |
| SCHEMBL10153576 | 0.70 | NOTUM (0.47) | CYP3A4HPGDNOTUMSLC6A9 |
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-2011023667-A1 | CARBOCYCLIC GLYT1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-03-03 | — | — | WO | disclosed |