Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.34 |
| ▸ | AGER | Q15109 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | SLC6A12 | P48065 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.33 |
| ▸ | CCR5 | P51681 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Phenylacetic Acid SCHEMBL7801858 | 1.00 | LMNA (0.39) | LMNAKMT2AMEN1TDP1BACE1 | |
| Phenylacetic Acid SCHEMBL7800378 | 0.95 | LMNA (0.38) | LMNAKMT2AMEN1TDP1BACE1 | |
| Phenylacetic Acid SCHEMBL7800375 | 0.95 | LMNA (0.38) | LMNAKMT2AMEN1TDP1BACE1 | |
| Lysine SCHEMBL7802033 | 0.94 | LMNA (0.37) | LMNAKMT2AMEN1TDP1BACE1 | |
| Lysine SCHEMBL7802036 | 0.94 | LMNA (0.37) | LMNAKMT2AMEN1TDP1BACE1 | |
| Lysine SCHEMBL7802985 | 0.94 | LMNA (0.37) | LMNAKMT2AMEN1TDP1BACE1 | |
| Cyclohexylamine SCHEMBL7799976 | 0.92 | TDP1 (0.43) | KMT2AMEN1TDP1ALDH1A1PTGDR | |
| Cyclohexylamine SCHEMBL7799978 | 0.92 | TDP1 (0.43) | KMT2AMEN1TDP1ALDH1A1PTGDR | |
| Cyclohexylamine SCHEMBL7793265 | 0.91 | TDP1 (0.41) | KMT2AMEN1TDP1PTGDRHDAC8 | |
| Cyclohexylamine SCHEMBL7798821 | 0.91 | TDP1 (0.43) | KMT2AMEN1TDP1ALDH1A1PTGDR |
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 |