Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 4/20 | 0.36 |
| ▸ | HTR1D | P28221 | 4/20 | 0.36 |
| ▸ | HTR1B | P28222 | 4/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.32 |
| ▸ | IKBKB | O14920 | 2/20 | 0.32 |
| ▸ | CHUK | O15111 | 2/20 | 0.32 |
| ▸ | CXCR1 | P25024 | 1/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3524823 | 0.84 | HTR1A (0.39) | HTR1AHTR1DHTR1BHSD11B1CA1 | |
| SCHEMBL30644862 | 0.78 | BRD4 (0.34) | BRD4TAF1BRPF1CREBBPCECR2 | |
| SCHEMBL18239642 | 0.78 | BRD4 (0.34) | BRD4TAF1BRPF1CREBBPCECR2 | |
| SCHEMBL5372057 | 0.74 | MEN1 (0.47) | — | |
| SCHEMBL3946952 | 0.74 | HTR1A (0.49) | HTR1AHTR1DHTR1BHSD11B1CA1 | |
| SCHEMBL10073222 | 0.73 | CXCR2 (0.40) | HTR1AHTR1DHTR1BHSD11B1CA1 | |
| Pivalate SCHEMBL30711319 | 0.72 | KMT2A (0.38) | IKBKBCHUKKEAP1 | |
| SCHEMBL18299637 | 0.72 | PDE2A (0.32) | NR3C1PGRBRD4TAF1BRPF1 | |
| SCHEMBL6940149 | 0.71 | TDP1 (0.44) | HTR1AHTR1DHTR1BHSD11B1CA1 | |
| SCHEMBL18299986 | 0.71 | KIF11 (0.38) | NR3C1PGRBRD4TAF1BRPF1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6228868-B1 | ANTICARCINOGENIC AND ANTITUMOR AGENTS | ABBOTT LABORATORIES | 2001-05-08 | — | — | US | disclosed |
| WO-2000006556-A1 | SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS | ABBOTT LABORATORIES (US) | 2000-02-10 | — | — | WO | disclosed |