Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.49 |
| ▸ | FBP1 | P09467 | 2/20 | 0.48 |
| ▸ | VCP | P55072 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| 3-Nitrobenzaldehyde SCHEMBL7793140 | 0.90 | HPGD (0.47) | NFE2L2MAPTPOLBTHRBHPGD | |
| 3-Nitrobenzaldehyde SCHEMBL8039154 | 0.86 | KMO (0.46) | NFE2L2MAPTPOLBTHRBHPGD | |
| 3-Nitrobenzaldehyde SCHEMBL8039156 | 0.86 | KMO (0.46) | NFE2L2MAPTPOLBTHRBHPGD | |
| 3-Nitrobenzaldehyde SCHEMBL29573715 | 0.83 | NFE2L2 (0.67) | NFE2L2FBP1VCPCYP19A1MAPT | |
| 3-Nitrobenzaldehyde SCHEMBL54487 | 0.83 | NFE2L2 (0.67) | NFE2L2FBP1VCPCYP19A1MAPT | |
| 3-Nitrobenzaldehyde SCHEMBL8035793 | 0.82 | KMO (0.43) | MAPTPOLBTHRBHPGDALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL8035795 | 0.82 | KMO (0.43) | MAPTPOLBTHRBHPGDALDH1A1 | |
| 3-Nitrobenzaldehyde SCHEMBL28992832 | 0.81 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1MAPT | |
| 3-Nitrobenzaldehyde SCHEMBL28115599 | 0.81 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1MAPT | |
| 3-Nitrobenzaldehyde SCHEMBL27737710 | 0.81 | NFE2L2 (0.65) | NFE2L2FBP1VCPCYP19A1MAPT |
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 |