Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.59 |
| ▸ | HTR2A | P28223 | 1/20 | 0.55 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | EBP | Q15125 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.48 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.47 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17275339 | 0.86 | THRB (0.60) | THRBHTR2ASIGMAR1EBPKMT2A | |
| SCHEMBL2784148 | 0.85 | AKR1C3 (0.63) | SIGMAR1KMT2AMEN1FAAHAKR1C3 | |
| SCHEMBL5524549 | 0.84 | MEN1 (0.69) | SIGMAR1KMT2AMEN1KCNH2LTA4H | |
| SCHEMBL9513241 | 0.83 | THRB (0.82) | THRBHTR2AKMT2AMEN1KCNH2 | |
| SCHEMBL9136775 | 0.80 | THRB (0.73) | THRBHTR2AKMT2AMEN1KCNH2 | |
| SCHEMBL9515612 | 0.80 | THRB (0.68) | THRBHTR2AKMT2AMEN1KCNH2 | |
| SCHEMBL10901582 | 0.79 | THRB (0.74) | THRBHTR2ASIGMAR1EBPKMT2A | |
| Hydrochloric Acid SCHEMBL9516717 | 0.79 | THRB (0.67) | THRBHTR2ASIGMAR1EBPKMT2A | |
| SCHEMBL9513010 | 0.79 | THRB (0.60) | THRBHTR2ASIGMAR1EBPKMT2A | |
| SCHEMBL9320609 | 0.78 | THRB (0.56) | THRBHTR2AKMT2AMEN1KCNH2 |
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-0810991-B1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1999-04-14 | — | — | EP | disclosed |
| EP-0810991-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026183-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1996-08-29 | — | — | WO | disclosed |