Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.44 |
| ▸ | CTSL | P07711 | 4/20 | 0.44 |
| ▸ | CTSB | P07858 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.39 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GHSR | Q92847 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8583599 | 1.00 | CTSS (0.44) | CTSSCTSLCTSBCA1CA2 | |
| SCHEMBL1162409 | 0.81 | GHSR (0.48) | CA1CA2ACHECXCR5GHSR | |
| SCHEMBL1162415 | 0.81 | GHSR (0.48) | CA1CA2ACHECXCR5GHSR | |
| SCHEMBL8581652 | 0.81 | GHSR (0.48) | CA1CA2ACHECXCR5GHSR | |
| SCHEMBL8520181 | 0.80 | CA1 (0.41) | CTSSCTSLCTSBCA1CA2 | |
| SCHEMBL8424174 | 0.80 | CXCR5 (0.50) | CTSLCXCR5CTSKHTR1AHTR1B | |
| SCHEMBL8422478 | 0.80 | CXCR5 (0.50) | CTSLCXCR5CTSKHTR1AHTR1B | |
| SCHEMBL8424334 | 0.80 | CXCR5 (0.50) | CTSLCXCR5CTSKHTR1AHTR1B | |
| SCHEMBL11924546 | 0.78 | SYK (0.42) | CTSSCTSLCTSBCA1CA2 | |
| SCHEMBL8581918 | 0.78 | DDB1 (0.43) | HTR1AHTR1BHTR2AHTR2CHTR7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0640618-B1 | Tetrahydronaphthalene-peptide derivatives | HOFFMANN LA ROCHE (CH) | 1999-10-20 | — | — | EP | disclosed |
| US-5837807-A | DIPEPTIDES AND CYCLIC PEPTIDE DERIVATIVES OF AMINO TETRAHYDRONAPHTHALENECARBOXYLIC ACID AND HELICAL DOMAINS | HOFFMANN-LA ROCHE INC. (US) | 1998-11-17 | — | — | US | disclosed |
| US-5644024-A | MIMICS OF PEPTIDE DOMAINS, SEQUENCE DETERMINATION, DRUGS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-01 | — | — | US | disclosed |
| EP-0729972-A1 | Peptide derivatives of tetrahydronaphthalene | F. HOFFMANN-LA ROCHE AG (CH) | 1996-09-04 | — | — | EP | disclosed |
| EP-0640618-A1 | Tetrahydronaphthalene-peptide derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1995-03-01 | — | — | EP | disclosed |