Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 10/20 | 0.55 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.55 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.55 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | HTR1B | P28222 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL13040086 | 0.87 | HTR1A (0.54) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL13077335 | 0.85 | NR2E1 (0.56) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL13077496 | 0.85 | HTR1A (0.43) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL13077578 | 0.82 | HTR1A (0.55) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL13077515 | 0.76 | HTR1A (0.55) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL14571124 | 0.74 | HTR1A (0.41) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL13040040 | 0.73 | NR2E1 (0.54) | HTR1AADRB3ADRB2ADRB1CYP1A2 | |
| SCHEMBL13077543 | 0.73 | ADRB2 (0.59) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL13077700 | 0.73 | ADRB2 (0.60) | ADRB3ADRB2ADRB1CYP1A2CYP3A4 | |
| Pindolol SCHEMBL8746419 | 0.73 | HTR1A (0.70) | HTR1AADRB3ADRB2ADRB1CYP1A2 |
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 |