Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 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 | |
|---|---|---|---|---|
| Phthalic Anhydride SCHEMBL7802574 | 0.93 | HTR2A (0.61) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 | |
| Phthalic Anhydride SCHEMBL7798440 | 0.91 | HTR2A (0.64) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 | |
| Phthalic Anhydride SCHEMBL7798016 | 0.87 | HTR2A (0.50) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 | |
| Phthalic Anhydride SCHEMBL7801507 | 0.87 | TAAR1 (0.53) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 | |
| Phthalic Anhydride SCHEMBL7798266 | 0.86 | HTR2A (0.57) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 | |
| Phthalic Anhydride SCHEMBL28176455 | 0.84 | TDP1 (0.56) | ALOX15TDP1TRPA1ALDH1A1TSHR | |
| Phthalic Anhydride SCHEMBL7798196 | 0.82 | TDP1 (0.70) | SMN1; SMN2ALOX15TDP1TRPA1ALDH1A1 | |
| Phthalic Anhydride SCHEMBL29186893 | 0.81 | TDP1 (0.52) | ALOX15TDP1TRPA1ALDH1A1TSHR | |
| Phthalic Anhydride SCHEMBL7802663 | 0.78 | TDP1 (0.58) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 | |
| Phenethylamine SCHEMBL22472091 | 0.78 | HTR2A (0.80) | HTR2ATAAR1CYP2A6SMN1; SMN2LOXL2 |
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-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |