Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
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 SCHEMBL7798067 | 0.89 | L3MBTL1 (0.41) | TDP1L3MBTL1ALDH1A1TSHRPOLB | |
| Cyclohexylamine SCHEMBL8035776 | 0.83 | TDP1 (0.38) | TDP1L3MBTL1ALDH1A1TSHRPOLB | |
| Cyclohexylamine SCHEMBL8035772 | 0.83 | TDP1 (0.38) | TDP1L3MBTL1ALDH1A1TSHRPOLB | |
| 5-Methylfurfural SCHEMBL7798326 | 0.80 | ALDH1A1 (0.47) | TDP1L3MBTL1ALDH1A1POLBSMN1; SMN2 | |
| SCHEMBL70088 | 0.80 | — | — | |
| Lysine SCHEMBL8039058 | 0.79 | GSR (0.42) | TDP1L3MBTL1ALDH1A1TSHRCTDSP1 | |
| Lysine SCHEMBL8039060 | 0.79 | GSR (0.42) | TDP1L3MBTL1ALDH1A1TSHRCTDSP1 | |
| Aes-103 SCHEMBL7802522 | 0.76 | ALDH1A1 (0.67) | TDP1L3MBTL1ALDH1A1TSHRPOLB | |
| Cyclohexylamine SCHEMBL7802252 | 0.75 | CASP6 (0.57) | TDP1L3MBTL1ALDH1A1TSHRPOLB | |
| Cyclohexylamine SCHEMBL7801667 | 0.71 | ALDH1A1 (0.62) | TDP1L3MBTL1ALDH1A1POLBSMN1; SMN2 |
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 |