Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | COMT | P21964 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4787284 | 0.84 | TSHR (0.52) | KDM4ETSHRCYP2C19ALDH1A1HTT | |
| SCHEMBL4787718 | 0.83 | TSHR (0.41) | KDM4ETSHRALDH1A1HTTNPSR1 | |
| SCHEMBL4787514 | 0.83 | L3MBTL1 (0.52) | KDM4ECOMTTSHRALDH1A1HTT | |
| SCHEMBL4746814 | 0.82 | TP53 (0.43) | COMTTSHRALDH1A1HTTMEN1 | |
| SCHEMBL4816303 | 0.81 | CCR1 (0.46) | TSHRALDH1A1HTTMEN1KMT2A | |
| SCHEMBL4745419 | 0.78 | MCOLN3 (0.46) | KDM4ETSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4746866 | 0.75 | HTT (0.48) | KDM4ETSHRALDH1A1HTTMEN1 | |
| SCHEMBL4745397 | 0.74 | KMT2A (0.43) | CYP3A4CYP2C19ALDH1A1MEN1KMT2A | |
| SCHEMBL5244145 | 0.72 | L3MBTL1 (0.50) | TSHRALDH1A1KMT2AL3MBTL1PKM | |
| SCHEMBL5242720 | 0.72 | ALDH1A1 (0.67) | TSHRALDH1A1HTTMEN1KMT2A |
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-2008115259-A2 | DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES | RIGEL PHARMACEUTICALS, INC. (US) | 2008-09-25 | — | — | WO | claimed |