Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | GSR | P00390 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2546767 | 1.00 | CHRNB4 (0.40) | CHRNB4CHRNA3CYP3A4TSHRCYP2C19 | |
| SCHEMBL18544377 | 0.82 | CHRNB4 (0.43) | CHRNB4CHRNA3SLC18A3CA2GSR | |
| SCHEMBL23797352 | 0.78 | CHRNB4 (0.59) | CHRNB4CHRNA3AKR1C3AKR1C1 | |
| SCHEMBL30166929 | 0.78 | CHRNB4 (0.59) | CHRNB4CHRNA3AKR1C3AKR1C1 | |
| SCHEMBL221689 | 0.78 | CHRNB4 (0.59) | CHRNB4CHRNA3AKR1C3AKR1C1 | |
| SCHEMBL5070767 | 0.77 | KDM1A (0.48) | CYP3A4CYP2C19 | |
| SCHEMBL25796871 | 0.74 | CA2 (0.38) | CA2GSR | |
| SCHEMBL27053505 | 0.74 | CA2 (0.38) | CA2GSR | |
| SCHEMBL12405329 | 0.74 | KDM1A (0.41) | CHRNB4CHRNA3CA2GSR | |
| SCHEMBL31389967 | 0.73 | CHRNB4 (0.43) | CHRNB4CHRNA3AKR1C3AKR1C1 |
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 |