Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 12/20 | 0.65 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | MAOA | P21397 | 1/20 | 0.58 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.58 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.58 |
| ▸ | MDH1 | P40925 | 1/20 | 0.58 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.58 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP13 | P45452 | 1/20 | 0.57 |
| ▸ | SYK | P43405 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17938665 | 0.79 | NPC1 (0.78) | HRH4HRH3NPC1RAB9A | |
| SCHEMBL6130879 | 0.79 | HRH4 (1.00) | HRH4HRH3HRH1RAB9A | |
| SCHEMBL8406457 | 0.79 | MMP13 (0.68) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL12862876 | 0.79 | MMP13 (0.68) | ADRA2AADORA3CHRM1MAOATBXA2R | |
| SCHEMBL27672435 | 0.78 | HRH4 (0.60) | HRH4HRH3SYKHRH1NPC1 | |
| SCHEMBL14899883 | 0.77 | HRH4 (0.73) | HRH4HRH3HRH1NPC1RAB9A | |
| SCHEMBL8781424 | 0.76 | SIGMAR1 (0.55) | NPC1RAB9A | |
| SCHEMBL22091300 | 0.76 | HRH4 (0.60) | HRH4HRH3SYK | |
| SCHEMBL8998726 | 0.75 | ADRA2A (0.57) | HRH4ADRA2AADORA3CHRM1MAOA | |
| Delavirdine SCHEMBL34420 | 0.75 | ADRA2A (1.00) | ADRA2AADORA3CHRM1MAOATBXA2R |
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-102304150-A | Phospho-indoles as HIV inhibitors | IDENIX PHARMACEUTICALS INC (US) | 2012-01-04 | — | — | CN | disclosed |
| CN-100343268-C | Beta-2 '-or 3' -halonucleosides | PHARMASSET LTD (BB) | 2007-10-17 | — | — | CN | disclosed |