Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984823 | 0.88 | HTR6 (0.48) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL6983864 | 0.88 | SLC40A1 (0.50) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL6985112 | 0.87 | ALDH1A1 (0.64) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL6986762 | 0.87 | ALDH1A1 (0.53) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL6985321 | 0.87 | ALDH1A1 (0.48) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL6976544 | 0.81 | MEN1 (0.53) | ALDH1A1LMNAHTTHTR2CHTR2B | |
| SCHEMBL6974140 | 0.80 | WDR5 (0.45) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL30926919 | 0.75 | ALDH1A1 (0.55) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL27181380 | 0.75 | ALDH1A1 (0.55) | ALDH1A1LMNAKDM4EGAAHTT | |
| SCHEMBL6983098 | 0.75 | HCRTR1 (0.43) | ALDH1A1LMNAGAAHTR6KCNA5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |
| EP-0991624-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | Boehringer Ingelheim Pharma KG (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000371-A1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-01-07 | — | — | WO | disclosed |