Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.39 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.37 |
| ▸ | HTR2B | P41595 | 3/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | SCN1A | P35498 | 2/20 | 0.37 |
| ▸ | HTR6 | P50406 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077336 | 0.87 | NR2E1 (0.48) | NR2E1TSHRKMT2AABCB1CYP2D6 | |
| SCHEMBL13040039 | 0.86 | NR2E1 (0.37) | NR2E1ACKR3TSHRCNR1CNR2 | |
| SCHEMBL13077523 | 0.86 | HTR1A (0.44) | TSHRKMT2ACYP2D6CYP1A2ADRB2 | |
| SCHEMBL13077344 | 0.84 | TSHR (0.40) | NR2E1TSHRKMT2AABCB1CYP2D6 | |
| SCHEMBL13265580 | 0.83 | NR2E1 (0.57) | NR2E1TSHRCNR1CNR2KMT2A | |
| SCHEMBL13149057 | 0.76 | NR2E1 (0.41) | NR2E1TSHRKMT2AABCB1CYP2D6 | |
| SCHEMBL13077529 | 0.76 | NPY1R (0.39) | ABCB1CYP2D6ADRB2ADRB1ADRB3 | |
| SCHEMBL13077501 | 0.75 | LMNA (0.51) | ABCB1ADRB2ADRB1ALDH1A1SMN1; SMN2 | |
| SCHEMBL13077544 | 0.75 | ADRB2 (0.45) | ABCB1CYP2D6ADRB2ADRB1ALDH1A1 | |
| SCHEMBL9332855 | 0.75 | NR2E1 (0.46) | NR2E1TSHRKMT2AABCB1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-7825263-B2 | Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive | NICOX S.A. (FR) | 2010-11-02 | — | — | US | disclosed |