Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6582087 | 0.87 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL6580559 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL6577989 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL13167579 | 0.78 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL8933342 | 0.77 | ALDH1A1 (0.49) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL16836079 | 0.77 | KDM1A (0.43) | MAPT | |
| SCHEMBL7281320 | 0.75 | MTNR1A (0.46) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL13185549 | 0.74 | ALDH1A1 (0.43) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL17014495 | 0.74 | ALDH1A1 (0.48) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 | |
| SCHEMBL12260114 | 0.74 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MAPTSRD5A1SRD5A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6265397-B1 | Amidino derivatives and their use as thrombin inhibitors | ASTRAZENECA AB (SE) | 2001-07-24 | — | — | US | disclosed |