Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.36 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 3/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL7798438 | 1.00 | CCR5 (0.39) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Phenylacetic Acid SCHEMBL7799134 | 0.95 | CCR5 (0.38) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Phenylacetic Acid SCHEMBL7799137 | 0.95 | CCR5 (0.38) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Phenylacetic Acid SCHEMBL7802623 | 0.95 | CCR5 (0.38) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Lysine SCHEMBL7793383 | 0.94 | DPP8 (0.41) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Lysine SCHEMBL7793380 | 0.94 | DPP8 (0.41) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Lysine SCHEMBL7802939 | 0.94 | DPP8 (0.41) | CCR5SLC1A3SLC1A2SLC1A1KLKB1 | |
| Cyclohexylamine SCHEMBL7792803 | 0.92 | DHODH (0.41) | LTA4HDHODHKDM4EALDH1A1KMT2A | |
| Cyclohexylamine SCHEMBL7792801 | 0.92 | DHODH (0.41) | LTA4HDHODHKDM4EALDH1A1KMT2A | |
| Cyclohexylamine SCHEMBL7798160 | 0.91 | DHODH (0.39) | LTA4HDHODHKDM4EALDH1A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |