Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | AKR1B10 | O60218 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12496273 | 0.79 | PYCR1 (0.43) | PYCR1HTTMEN1KMT2AHPGD | |
| SCHEMBL14139155 | 0.76 | HTT (0.60) | HTTMEN1KMT2AHPGDCYP1A2 | |
| SCHEMBL480186 | 0.76 | PYCR1 (0.42) | PYCR1HTTMEN1KMT2AHPGD | |
| SCHEMBL8173928 | 0.76 | LMNA (0.43) | PYCR1HTTMEN1KMT2AHPGD | |
| SCHEMBL7947654 | 0.74 | SLC6A4 (0.46) | HTTMEN1KMT2AHPGDCYP1A2 | |
| SCHEMBL28251094 | 0.73 | IDO1 (0.45) | HTTMEN1KMT2ACYP3A4SMN1; SMN2 | |
| SCHEMBL1350652 | 0.73 | PYCR1 (0.44) | PYCR1HTTMEN1KMT2AHPGD | |
| SCHEMBL307760 | 0.72 | PYCR1 (0.46) | PYCR1HTTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL30467771 | 0.72 | PYCR1 (0.46) | PYCR1HTTMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL257075 | 0.72 | PYCR1 (0.50) | PYCR1HTTMEN1KMT2AHPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015092634-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS AND COMPOSITIONS AS SELECTIVE ESTROGEN RECEPTOR ANTAGONISTS AND DEGRADERS | NOVARTIS AG (CH) | 2015-06-25 | — | — | WO | disclosed |