Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | DRD2 | P14416 | 6/20 | 0.44 |
| ▸ | DRD3 | P35462 | 4/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.43 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6984356 | 0.86 | SMN1; SMN2 (0.53) | TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL6977738 | 0.84 | TP53 (0.51) | TP53IDO1KCNH2HDAC1HDAC8 | |
| SCHEMBL6979412 | 0.83 | NAMPT (0.49) | TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL7409209 | 0.83 | IDO1 (0.60) | TP53IDO1KCNH2HDAC1HDAC8 | |
| SCHEMBL7085009 | 0.83 | TP53 (0.49) | TP53IDO1KCNH2HDAC1HDAC8 | |
| SCHEMBL7964635 | 0.81 | TP53 (0.47) | TP53IDO1KCNH2HDAC1HDAC8 | |
| SCHEMBL6977395 | 0.81 | TP53 (0.46) | TP53HDAC1HDAC8HDAC6 | |
| SCHEMBL18414292 | 0.80 | HDAC1 (0.52) | TP53DRD2DRD3DRD4DRD1 | |
| SCHEMBL6984354 | 0.79 | PTGER4 (0.49) | TP53IDO1KCNH2HDAC1HDAC8 | |
| SCHEMBL6979174 | 0.79 | TP53 (0.50) | TP53IDO1KCNH2HDAC1HDAC8 |
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 4 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 |
| 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 |