Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | BLM | P54132 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL6577701 | 0.89 | SMPD1 (0.55) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| Hydrochloric Acid SCHEMBL6579984 | 0.88 | SMPD1 (0.54) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL6580042 | 0.82 | DRD1 (0.48) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL6581800 | 0.81 | CYP3A4 (0.48) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL6577273 | 0.80 | CYP1A2 (0.47) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| Hydrochloric Acid SCHEMBL6581834 | 0.80 | BLM (0.49) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| Hydrochloric Acid SCHEMBL6581922 | 0.79 | BLM (0.48) | SMPD1CYP3A4CYP1A2CYP2D6BLM | |
| SCHEMBL6582348 | 0.77 | KCNH2 (0.43) | SMPD1 | |
| Hydrochloric Acid SCHEMBL6583092 | 0.76 | KCNH2 (0.42) | SMPD1 | |
| SCHEMBL6582164 | 0.75 | HTR2A (0.43) | KDM4EMEN1KMT2ATP53TSHR |
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-5679699-A | ANTIISCHEMIC AGENTS, HEART RATE LOWERING AGENTS | KALI-CHEMIE PHARMA GMBH (DE) | 1997-10-21 | — | — | US | disclosed |