Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | XBP1 | P17861 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 4/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
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 SCHEMBL7800901 | 0.90 | CASP6 (0.48) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| Cyclohexylamine SCHEMBL8025520 | 0.85 | CASP6 (0.44) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| Cyclohexylamine SCHEMBL8025516 | 0.85 | CASP6 (0.44) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| SCHEMBL183545 | 0.82 | KMT2A (0.66) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| Lysine SCHEMBL8035753 | 0.81 | GRM8 (0.41) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| Lysine SCHEMBL8035750 | 0.81 | GRM8 (0.41) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| Ammonia Solution, Strong SCHEMBL27671164 | 0.81 | KMT2A (0.63) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| Nitric Acid SCHEMBL11753070 | 0.77 | KMT2A (0.59) | CASP6RAB9ATDP1SMN1; SMN2LMNA | |
| 5-Methylfurfural SCHEMBL7798326 | 0.75 | ALDH1A1 (0.47) | RAB9ATDP1SMN1; SMN2LMNAMAPT | |
| Cyclohexylamine SCHEMBL7802602 | 0.75 | TDP1 (0.40) | TDP1SMN1; SMN2LMNAMAPTKMT2A |
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 |