Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.70 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.58 |
| ▸ | NAMPT | P43490 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | STS | P08842 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7804799 | 0.92 | ESR2 (0.71) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL31621670 | 0.86 | ESR2 (0.78) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL19684692 | 0.86 | ESR2 (0.78) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL23124526 | 0.85 | ESR2 (0.69) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL30593270 | 0.85 | ESR2 (0.69) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL30785582 | 0.84 | ESR2 (0.64) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL31474612 | 0.84 | ESR2 (0.64) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL31083726 | 0.83 | ESR2 (0.66) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL25404045 | 0.83 | ESR2 (0.66) | ESR2NR1H2NAMPTESR1MAPK1 | |
| SCHEMBL24842903 | 0.83 | ESR2 (0.65) | ESR2NR1H2NAMPTESR1MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873317-B1 | PYRIMIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | EP | disclosed |
| EP-0873317-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1998-10-28 | — | — | EP | disclosed |
| US-5688798-A | PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |
| WO-1997013759-A1 | PYRIMIDIN DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-04-17 | — | — | WO | disclosed |