Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 7/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | DAGLA | Q9Y4D2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4404110 | 0.76 | TRPV1 (0.59) | CNR2TRPV1CNR1SMN1; SMN2LMNA | |
| SCHEMBL8318475 | 0.72 | LMNA (0.49) | SMN1; SMN2LMNATRPM8RAB9AADORA2A | |
| SCHEMBL15031 | 0.68 | CALM1 (0.32) | — | |
| SCHEMBL3458046 | 0.67 | MGLL (0.55) | CNR2TRPV1CNR1SMN1; SMN2LMNA | |
| SCHEMBL4831202 | 0.67 | SMN1; SMN2 (0.58) | CNR2TRPV1CNR1SMN1; SMN2LMNA | |
| SCHEMBL4412024 | 0.66 | — | — | |
| SCHEMBL3458999 | 0.65 | MAOB (0.52) | CNR2TRPV1CNR1SMN1; SMN2LMNA | |
| SCHEMBL23277296 | 0.65 | — | — | |
| SCHEMBL24915 | 0.64 | — | — | |
| SCHEMBL15543197 | 0.64 | TRPM8 (0.47) | SMN1; SMN2LMNATRPM8TSHR |
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-2513119-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c]ISOQUINOLINE DERIVATIVES | Nycomed GmbH (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073231-A1 | 3,4,4A,10B-TETRAHYDRO-1H-THIOPYRANO-[4, 3-c] ISOQUINOLINE DERIVATIVES | NYCOMED GMBH (DE) | 2011-06-23 | — | — | WO | disclosed |