Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29889164 | 0.80 | TDP1 (1.00) | TDP1MAPTL3MBTL1ERN1ALDH1A1 | |
| SCHEMBL95435 | 0.80 | TDP1 (1.00) | TDP1MAPTL3MBTL1ERN1ALDH1A1 | |
| Lysine SCHEMBL8025644 | 0.80 | GSR (0.41) | TDP1MAPTTSHRALDH1A1GAA | |
| Ammonia Solution, Strong SCHEMBL8037724 | 0.78 | TDP1 (0.95) | TDP1MAPTL3MBTL1ERN1ALDH1A1 | |
| Cyclohexylamine SCHEMBL7798607 | 0.77 | TDP1 (0.65) | TDP1MAPTTSHRL3MBTL1ERN1 | |
| Cycloheptanamine SCHEMBL7801564 | 0.77 | TDP1 (0.65) | TDP1MAPTTSHRL3MBTL1ERN1 | |
| SCHEMBL8905673 | 0.74 | TDP1 (0.53) | TDP1MAPTTSHRL3MBTL1ALOX15 | |
| SCHEMBL23932966 | 0.73 | ALDH1A1 (0.58) | TDP1MAPTL3MBTL1ALOX15ALDH1A1 | |
| SCHEMBL19582589 | 0.73 | ALDH1A1 (0.54) | TDP1MAPTTSHRL3MBTL1ALOX15 | |
| SCHEMBL15093884 | 0.71 | ALDH1A3 (0.53) | TDP1MAPTTSHRL3MBTL1ALOX15 |
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 |