Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 5/20 | 0.49 |
| ▸ | DRD3 | P35462 | 5/20 | 0.49 |
| ▸ | HTR6 | P50406 | 5/20 | 0.49 |
| ▸ | HTR2A | P28223 | 4/20 | 0.49 |
| ▸ | HTR2C | P28335 | 4/20 | 0.49 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 1/20 | 0.43 |
| ▸ | MLNR | O43193 | 3/20 | 0.43 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL6980873 | 0.85 | NR3C1 (0.51) | TP53MAPTDRD2DRD3HTR6 | |
| Hydrochloric Acid SCHEMBL6984382 | 0.84 | NR3C1 (0.50) | TP53MAPTDRD2DRD3HTR6 | |
| SCHEMBL6985317 | 0.82 | NR3C1 (0.58) | TP53MAPTNR3C1 | |
| SCHEMBL6983684 | 0.81 | MGAT2 (0.42) | HTR2ANR3C1ARMGAT2 | |
| SCHEMBL6976880 | 0.81 | NR3C1 (0.55) | TP53MAPTDRD2DRD3HTR6 | |
| SCHEMBL6981758 | 0.80 | NR3C1 (0.56) | TP53MAPTNR3C1 | |
| SCHEMBL6977969 | 0.80 | NR3C1 (0.56) | TP53MAPTDRD2DRD3HTR6 | |
| SCHEMBL6983044 | 0.78 | NR3C1 (0.58) | TP53MAPTNR3C1 | |
| SCHEMBL6984210 | 0.78 | KMT2A (0.55) | DRD2DRD3HTR6HTR2AHTR2C | |
| SCHEMBL6976398 | 0.78 | NR3C1 (0.51) | TP53DRD2DRD3HTR6HTR2A |
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 2 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 |
| US-6300342-B1 | FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION | BOEHRINGER INGELHEIM PHARM KG (DE) | 2001-10-09 | — | — | US | disclosed |