Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27800576 | 0.81 | MEN1 (0.36) | ADRA1AMEN1KMT2AHSD17B10TRPA1 | |
| SCHEMBL27691694 | 0.79 | ADRB2 (0.39) | ADRB2ADRB1ADRB3ADRA1AADRA2A | |
| SCHEMBL27689600 | 0.76 | ADRB2 (0.34) | ADRB2ADRB1ADRB3ESR1ESR2 | |
| SCHEMBL27842026 | 0.76 | ADRB1 (0.49) | ADRB1ADRB3ADRA2AADRA2BADRA2C | |
| SCHEMBL28818939 | 0.75 | TRPA1 (0.46) | ESR1ESR2MEN1KMT2AHSD17B10 | |
| SCHEMBL27612607 | 0.72 | CA3 (0.43) | ADRA1ATRPA1LMNACHRM1SLC6A2 | |
| SCHEMBL27520331 | 0.72 | PTGS1 (0.42) | MEN1KMT2AHSD17B10LMNAALDH1A1 | |
| SCHEMBL27711675 | 0.71 | HSP90AA1 (0.33) | ADRB2ADRB1ADRB3MEN1KMT2A | |
| SCHEMBL60358 | 0.71 | PTGS2 (0.49) | ADRB3ESR1ADRA1ATRPA1LMNA | |
| SCHEMBL17732596 | 0.70 | KDM4E (0.43) | ESR1ESR2MEN1KMT2AHSD17B10 |
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-1997619-B | Ethynyl containing phenyl derivatives | HOFFMANN LA ROCHE | 2010-08-25 | — | — | CN | disclosed |
| CN-1997619-A | Phenyl derivatives comprising an acetylene group | HOFFMANN LA ROCHE (CH) | 2007-07-11 | — | — | CN | disclosed |