Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7798596 | 0.89 | ALDH1A1 (0.39) | ALDH1A1MAPTSMN1; SMN2RAB9AHPGD | |
| 2-Thiophenenecarboxaldehyde SCHEMBL8081424 | 0.85 | NR1I2 (0.50) | ALDH1A1MAPTNR1I2SMN1; SMN2DPP4 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL8840818 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1MAPTNR1I2SMN1; SMN2DPP4 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31206 | 0.79 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31005004 | 0.77 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL31458522 | 0.77 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL29202151 | 0.77 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL4219822 | 0.77 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL11188175 | 0.77 | — | — | |
| 2-Thiophenenecarboxaldehyde SCHEMBL30885368 | 0.77 | — | — |
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 |