Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2753597 | 0.83 | S1PR1 (0.34) | — | |
| SCHEMBL9955989 | 0.78 | NR4A1 (0.41) | NOTUMIDO1KDM4E | |
| SCHEMBL2752821 | 0.75 | NOTUM (0.44) | NOTUM | |
| SCHEMBL17028958 | 0.75 | TDO2 (0.42) | NOTUMIDO1RAB9ASCN2AALDH1A1 | |
| SCHEMBL512276 | 0.73 | NOTUM (0.44) | NOTUMIDO1RAB9AGAAMAPK1 | |
| SCHEMBL2752339 | 0.73 | CES2 (0.37) | NOTUM | |
| SCHEMBL2753828 | 0.73 | ALOX5AP (0.39) | GAA | |
| SCHEMBL28733680 | 0.73 | CYP11B2 (0.47) | — | |
| SCHEMBL500129 | 0.73 | ALOX15 (0.41) | NOTUMRAB9AMAPK1KDM4EALDH1A1 | |
| SCHEMBL1892139 | 0.73 | IDO1 (0.50) | NOTUMIDO1GAAMAPK1SCN2A |
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-2015124606-A1 | N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2015-08-27 | — | — | WO | disclosed |