Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 3/20 | 0.39 |
| ▸ | NOS2 | P35228 | 3/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL3508212 | 1.00 | NOS3 (0.39) | NOS3NOS2NOS1LOXL2CCR1 | |
| SCHEMBL11967167 | 0.81 | NOS3 (0.39) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL26290122 | 0.79 | KDM4E (0.37) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL11970117 | 0.78 | FFAR1 (0.35) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL13283349 | 0.77 | NOS3 (0.56) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL11955025 | 0.76 | CCR1 (0.32) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL2067701 | 0.75 | HTT (0.39) | LOXL2CCR5PLAUKMT2A | |
| SCHEMBL10099933 | 0.75 | CYP3A4 (0.32) | NOS3NOS2NOS1CCR1CCR5 | |
| SCHEMBL3507830 | 0.75 | LOXL2 (0.32) | LOXL2 | |
| Hydrochloric Acid SCHEMBL582982 | 0.75 | LOXL2 (0.34) | NOS3NOS2NOS1LOXL2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1755572-B1 | N- (2-BENZYL) -2-PHENYLBUTANAMIDES AS ANDROGEN RECEPTOR MODULATORS | MERCK SHARP & DOHME (US) | 2012-02-15 | — | — | EP | disclosed |