Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | MDH2 | P40926 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3646574 | 0.94 | HTT (0.51) | HTTKDM4EMEN1KMT2AADRB2 | |
| SCHEMBL1430455 | 0.84 | GABRA1 (0.65) | MEN1KMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL6714522 | 0.83 | HTT (0.51) | HTTKDM4EMEN1KMT2AADRB2 | |
| SCHEMBL5515830 | 0.82 | KDM4E (0.52) | HTTKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL3719277 | 0.79 | HTR2A (0.46) | HTTKDM4EMEN1KMT2AADRB2 | |
| SCHEMBL4961480 | 0.79 | HTT (0.48) | HTTKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL3652845 | 0.79 | GABRA1 (0.65) | MEN1KMT2AALDH1A1HPGDCYP1A2 | |
| SCHEMBL5238370 | 0.79 | KDM4E (0.46) | HTTKDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL15956339 | 0.79 | GABRA1 (0.57) | HTTKDM4EMEN1KMT2AADRB2 | |
| SCHEMBL4960045 | 0.76 | KDM4E (0.49) | HTTKDM4EMEN1KMT2AADRB2 |
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-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |