Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.38 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | CPA1 | P15085 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8542129 | 0.76 | PTGER1 (0.47) | L3MBTL1PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL7413567 | 0.74 | POLB (0.43) | ALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL7413529 | 0.74 | POLB (0.43) | ALDH1A1L3MBTL1NPSR1 | |
| SCHEMBL8502030 | 0.74 | NPSR1 (0.47) | L3MBTL1NPSR1 | |
| SCHEMBL7351228 | 0.73 | ATM (0.42) | L3MBTL1ITGA4ITGB7NPSR1ACE | |
| SCHEMBL8770890 | 0.72 | RXRA (0.43) | KDM4ETDP1L3MBTL1RXRARXRB | |
| SCHEMBL27984256 | 0.71 | SYK (0.51) | ALDH1A1BRD4ACE | |
| SCHEMBL1845821 | 0.71 | HTR1A (0.48) | KDM4ETDP1ALDH1A1L3MBTL1RXRA | |
| SCHEMBL8132061 | 0.70 | MRGPRX4 (0.40) | ALDH1A1L3MBTL1 | |
| SCHEMBL29575338 | 0.70 | PPARA (0.53) | ACE |
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-5864045-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1999-01-26 | — | — | US | disclosed |
| US-5840726-A | Heterocyclic substituted piperazinone derivatives | HOECHST MARION ROUSSEL INC. (US) | 1998-11-24 | — | — | US | disclosed |