Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | IDH1 | O75874 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2023595 | 0.84 | CCR1 (0.40) | ADORA2AKCNH2IDH1PGK1PGK2 | |
| SCHEMBL23343845 | 0.81 | ADORA2A (0.39) | ADORA2AKCNH2IDH1NOS1NOS2 | |
| SCHEMBL23343749 | 0.76 | ADORA2A (0.37) | ADORA2AKCNH2IDH1NOS1NOS2 | |
| SCHEMBL29530354 | 0.76 | ADORA2A (0.40) | ADORA2AIDH1PGK1PGK2NPSR1 | |
| SCHEMBL18861639 | 0.76 | ADORA2A (0.40) | ADORA2AIDH1NOS1NOS2PGK1 | |
| SCHEMBL24915535 | 0.76 | ADORA2A (0.40) | ADORA2AIDH1PGK1PGK2NPSR1 | |
| SCHEMBL22235700 | 0.76 | ADORA2A (0.37) | ADORA2AIDH1PGK1PGK2TDP1 | |
| SCHEMBL30428110 | 0.75 | ADORA2A (0.41) | ADORA2AKCNH2PGK1PGK2NPSR1 | |
| SCHEMBL28770393 | 0.74 | KCNH2 (0.39) | KCNH2NOS1NOS2NPSR1TDP1 | |
| SCHEMBL3298262 | 0.73 | PGK1 (0.50) | ADORA2AKCNH2IDH1PGK1PGK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101541749-B | Tetrahydrocyclopenta[b] indole compounds as androgen receptor modulators | LILLY CO ELI | 2013-03-27 | — | — | CN | disclosed |
| CN-101541749-A | Tetrahydrocyclopenta[b] indole compounds as androgen receptor modulators | LILLY CO ELI (US) | 2009-09-23 | — | — | CN | disclosed |