Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 2/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | CCR8 | P51685 | 2/20 | 0.36 |
| ▸ | ATP4A | P20648 | 1/20 | 0.35 |
| ▸ | ATP4B | P51164 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23552159 | 0.84 | KCNH2 (0.36) | KCNH2NPC1TDP1PLAUKDM4E | |
| SCHEMBL19776515 | 0.79 | PDGFRB (0.50) | MAPTMAOBRAB9ANPC1L3MBTL1 | |
| SCHEMBL29481808 | 0.79 | PDGFRB (0.50) | MAPTMAOBRAB9ANPC1L3MBTL1 | |
| SCHEMBL19783279 | 0.78 | CCR1 (0.36) | CCR1CCR5CCR8KDM4EHPGD | |
| SCHEMBL30189953 | 0.76 | CCR1 (0.34) | MAPTCCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL19782862 | 0.76 | CCR1 (0.34) | MAPTCCR1CCR5CCR8ALDH1A1 | |
| SCHEMBL19783610 | 0.70 | TLR7 (0.32) | CCR1CCR5CCR8 | |
| SCHEMBL13045274 | 0.70 | KCNH2 (0.47) | MAOBKCNH2TDP1PLAUALDH1A1 | |
| SCHEMBL19776262 | 0.69 | PRNP (0.40) | MAPTCCR1CCR5CCR8RAB9A | |
| SCHEMBL19783078 | 0.68 | CYP11B1 (0.35) | MAPTCCR1CCR5CCR8TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |