Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.46 |
| ▸ | DRD1 | P21728 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL11559591 | 0.85 | CYP1A2 (0.51) | ALDH1A1ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL11554022 | 0.82 | BRD4 (0.38) | ALDH1A1OPRM1KCNH2LMNAKDM4E | |
| SCHEMBL11427641 | 0.82 | ACE (0.42) | ALDH1A1ACE | |
| Hydrochloric Acid SCHEMBL11560085 | 0.81 | ACE (0.41) | ACE | |
| SCHEMBL11558992 | 0.79 | ALDH1A1 (0.40) | ALDH1A1ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL8800897 | 0.76 | ALDH1A1 (0.55) | ALDH1A1ABCB11ADRA2ACYP2B6DRD1 | |
| Hydrochloric Acid SCHEMBL8092726 | 0.75 | KDM4E (0.56) | ALDH1A1ABCB11ADRA2ACYP2B6DRD1 | |
| SCHEMBL11562455 | 0.74 | MMP9 (0.45) | CYP3A4SMN1; SMN2ACERAB9A | |
| SCHEMBL11563644 | 0.73 | FKBP1A (0.42) | ALDH1A1 | |
| SCHEMBL11557147 | 0.72 | ACE (0.53) | ACE |
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-4147787-A | ANTICOAGULANTS | PARCOR (FR) | 1979-04-03 | — | — | US | disclosed |