Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.47 |
| ▸ | HTR3B | O95264 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL7358937 | 0.92 | ATM (0.48) | ADRB1ATMPPARAPPARGHTR3E | |
| SCHEMBL7369393 | 0.88 | ADRB1 (0.51) | ADRB1ATMPPARAPPARGTP53 | |
| SCHEMBL12814058 | 0.86 | NPSR1 (0.58) | ADRB1ATMHTR3EHTR3BHTR3A | |
| Hydrochloric Acid SCHEMBL12814057 | 0.85 | NPSR1 (0.57) | ADRB1ATMHTR3EHTR3BHTR3A | |
| SCHEMBL6922833 | 0.82 | ADRB1 (0.69) | ADRB1HTR7TP53HTR3EHTR3B | |
| SCHEMBL7366945 | 0.81 | HPGD (0.47) | ATMTP53HTR3EHTR3BCYP1A2 | |
| SCHEMBL8250956 | 0.80 | MAPK1 (0.53) | ATMTP53HTR3EHTR3BHTT | |
| SCHEMBL7364473 | 0.79 | GPR119 (0.53) | ATMPPARAPPARGTP53HTT | |
| SCHEMBL9863137 | 0.79 | PPARA (0.67) | ATMPPARAPPARGTP53CYP1A2 | |
| Bromoethane SCHEMBL8198933 | 0.79 | ADRB1 (0.63) | ADRB1HTR7TP53HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| US-5994356-A | ANTICOAGULANT | KARL THOMAE (DE) | 1999-11-30 | — | — | US | disclosed |
| EP-0892783-A1 | CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION | Dr. Karl Thomae GmbH (DE) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997037975-A1 | CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION | DR. KARL THOMAE GMBH (DE) | 1997-10-16 | — | — | WO | disclosed |