Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 4/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1201800 | 1.00 | HTR2A (0.35) | HTR2ACHRNB4CHRNA3HTR2CIDO1 | |
| SCHEMBL853286 | 0.81 | CHRNB4 (0.40) | HTR2ACHRNB4CHRNA3SLC6A2SLC6A3 | |
| SCHEMBL9143636 | 0.73 | RECQL (0.42) | HTR2CCYP1A2CYP2D6HTR1ASLC6A2 | |
| SCHEMBL9144960 | 0.73 | RECQL (0.42) | HTR2CCYP1A2CYP2D6HTR1ASLC6A2 | |
| SCHEMBL28829153 | 0.69 | CHRNB4 (0.37) | CHRNB4CHRNA3HTR2CIDO1PDPK1 | |
| SCHEMBL13116589 | 0.68 | CHRNB4 (0.35) | CHRNB4CHRNA3PRCP | |
| SCHEMBL13116588 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL3425103 | 0.67 | CHRNB4 (0.50) | CHRNB4CHRNA3HTR2CIDO1PDPK1 | |
| SCHEMBL6940509 | 0.67 | CHRNB4 (0.50) | CHRNB4CHRNA3HTR2CIDO1PDPK1 | |
| SCHEMBL4952572 | 0.67 | HTR2A (0.41) | HTR2ASLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2350021-B1 | BRIDGED TETRAHYDRONAPHTHALENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2013-03-20 | — | — | EP | disclosed |
| US-8314253-B2 | Bridged tetrahydronaphthalene derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-11-20 | — | — | US | disclosed |