Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 19/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6666107 | 0.89 | ADRB3 (0.55) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6666653 | 0.88 | ADRB3 (0.51) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6667990 | 0.88 | ADRB3 (0.50) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6664719 | 0.86 | ADRB3 (0.59) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6668261 | 0.85 | ADRB3 (0.48) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6667652 | 0.84 | ADRB3 (0.50) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6663309 | 0.84 | ADRB3 (0.49) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6663323 | 0.84 | ADRB3 (0.47) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6663265 | 0.83 | ADRB3 (0.47) | ADRB3ADRB2ADRB1 | |
| SCHEMBL6666920 | 0.83 | ADRB3 (0.53) | ADRB3ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004014850-A2 | SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS | PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) | 2004-02-19 | — | — | WO | claimed |
| WO-2004014850-A2 | SUBSTITUTED AMINOPYRIMIDINES AS NEUROKININ ANTAGONISTS | PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) | 2004-02-19 | — | — | WO | disclosed |