Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB1 | P18505 | 1/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.52 |
| ▸ | CTSB | P07858 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.49 |
| ▸ | UTS2R | Q9UKP6 | 13/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13802924 | 0.89 | GABRB1 (0.53) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL9295219 | 0.89 | GABRB1 (0.50) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL21715586 | 0.87 | GABRB1 (0.48) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL5848532 | 0.86 | GABRB1 (0.52) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL5676217 | 0.86 | GABRB1 (0.52) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL4583120 | 0.86 | CTSK (0.53) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL7299702 | 0.83 | GABRB1 (0.49) | GABRB1GABRB2CTSBCTSSCTSK | |
| SCHEMBL4927517 | 0.81 | JAK2 (0.46) | GABRB1GABRB2CTSSCTSK | |
| SCHEMBL4958137 | 0.81 | CTSL (0.49) | CTSSCTSK | |
| SCHEMBL28389834 | 0.80 | GABRB1 (0.54) | GABRB1GABRB2CTSBCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| CN-1081625-C | 1 -aryl -2 -acylamino-ethane compounds and their use as neurokinin especially neurokinin 1 antagonists | NOVARTIS AG (CH) | 2002-03-27 | — | — | CN | disclosed |
| 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 |
| CN-1175944-A | 1 -aryl -2 -acylamino-ethane compounds and their use as neurokinin especially neurokinin 1 antagonists | CIBA GEIGY AG (CH) | 1998-03-11 | — | — | CN | disclosed |