Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL7798452 | 0.88 | GAA (0.43) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL7792603 | 0.87 | MAPT (0.44) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL7798400 | 0.86 | HDAC1 (0.43) | CYP1A2CYP2C9CYP2C19HDAC1HDAC2 | |
| SCHEMBL30480119 | 0.78 | MAPT (0.56) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL423387 | 0.78 | MAPT (0.56) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL5123360 | 0.76 | MAPT (0.54) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL7102293 | 0.76 | MAPT (0.54) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| Bromide SCHEMBL11715283 | 0.76 | MAPT (0.54) | CYP1A2CYP2C9CYP2C19ALDH1A1MEN1 | |
| SCHEMBL7798806 | 0.75 | KDM4E (0.60) | CYP1A2ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL7798808 | 0.73 | ALDH1A1 (0.45) | CYP1A2CYP2C9CYP2C19ALDH1A1TSHR |
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 |