Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
| ▸ | METAP1 | P53582 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5076868 | 0.73 | PDPK1 (0.36) | PDPK1ADORA1ADORA2ARAB9ACYP2A6 | |
| SCHEMBL5316408 | 0.71 | PDPK1 (0.37) | PDPK1ADORA1ADORA2AHSP90AA1RAB9A | |
| SCHEMBL7108445 | 0.70 | SMPD3 (0.40) | PDPK1ADORA1RAB9ALOXL2CYP2A6 | |
| SCHEMBL8066803 | 0.68 | ADORA2A (0.33) | ADORA1ADORA2A | |
| SCHEMBL10917272 | 0.67 | ADORA1 (0.45) | PDPK1ADORA1ADORA2AHSP90AA1ADORA3 | |
| SCHEMBL30977584 | 0.60 | PDPK1 (0.42) | PDPK1ADORA1ADORA2AHSP90AA1RAB9A | |
| SCHEMBL1337545 | 0.60 | HSP90AA1 (0.41) | PDPK1ADORA1ADORA2AHSP90AA1RAB9A | |
| SCHEMBL8094750 | 0.59 | PDPK1 (0.42) | PDPK1ADORA1ADORA2ARAB9ALOXL2 | |
| SCHEMBL810755 | 0.59 | METAP1 (0.40) | PDPK1ADORA1ADORA2AHSP90AA1RAB9A | |
| SCHEMBL102331 | 0.59 | PDPK1 (0.59) | PDPK1ADORA1ADORA2AHSP90AA1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6723735-B1 | TREATMENT OR PREVENTION OF ANXIETY | MERCK SHARP & DOHME LTD. | 2004-04-20 | — | — | US | disclosed |