Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 10/20 | 0.53 |
| ▸ | RAB9A | P51151 | 7/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4746879 | 0.87 | SMN1; SMN2 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4786428 | 0.86 | RAB9A (0.67) | ALDH1A1MAPTRAB9ASMN1; SMN2LMNA | |
| SCHEMBL4746882 | 0.83 | SMN1; SMN2 (0.47) | ALDH1A1CYP3A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4750765 | 0.80 | KMT2A (0.56) | ALDH1A1MAPTRAB9ASMN1; SMN2LMNA | |
| SCHEMBL4750943 | 0.79 | MAPK1 (0.63) | ALDH1A1MAPTRAB9ASMN1; SMN2LMNA | |
| SCHEMBL4746954 | 0.79 | ABL1 (0.52) | ALDH1A1MAPTRAB9ASMN1; SMN2LMNA | |
| SCHEMBL4747401 | 0.78 | MAPT (0.67) | ALDH1A1MAPTRAB9ASMN1; SMN2LMNA | |
| SCHEMBL4750837 | 0.78 | MAPK1 (0.49) | ALDH1A1CYP3A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4749875 | 0.77 | MAPT (0.56) | ALDH1A1CYP3A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4750359 | 0.77 | KMT2A (0.60) | ALDH1A1MAPTRAB9ASMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008124000-A2 | THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2008-10-16 | — | — | WO | claimed |
| WO-2008124000-A2 | THIAZOLE DERIVATIVES AS ANDROGEN RECEPTOR MODULATOR COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2008-10-16 | — | — | WO | disclosed |