Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.64 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.64 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.64 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.64 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | CNR1 | P21554 | 1/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL11720981 | 1.00 | CYP2D6 (0.64) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11202936 | 0.89 | PTGS1 (0.56) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11202940 | 0.89 | PTGS1 (0.56) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11716651 | 0.88 | PTGS1 (0.55) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11716655 | 0.88 | PTGS1 (0.55) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11716664 | 0.87 | ADRB2 (0.59) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11722838 | 0.87 | ADRB2 (0.50) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11722831 | 0.87 | ADRB2 (0.50) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11723214 | 0.87 | ADRB2 (0.48) | CYP2D6ADRB2ADRB1CYP1A2TSHR | |
| SCHEMBL11723207 | 0.87 | ADRB2 (0.48) | CYP2D6ADRB2ADRB1CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4038414-A | ANTIARRHYTHMIA AGENTS | CIBA-GEIGY CORPORATION (US) | 1977-07-26 | — | — | US | disclosed |
| US-4014920-A | N-cinnamylcarbamic acid esters | CIBA-GEIGY CORPORATION (US) | 1977-03-29 | — | — | US | disclosed |