Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 12/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | GRK6 | P43250 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | F12 | P00748 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 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 | |
|---|---|---|---|---|
| SCHEMBL27906354 | 0.81 | ADORA3 (0.55) | ADORA3ADORA2AADORA1CYP1A2MEN1 | |
| SCHEMBL10585600 | 0.81 | CYP1A2 (0.53) | ADORA3ADORA2AADORA1CYP1A2MEN1 | |
| SCHEMBL17280115 | 0.75 | NR1H2 (0.50) | ADORA3ADORA2AADORA1MEN1ALDH1A1 | |
| SCHEMBL27545130 | 0.70 | KDM4E (0.43) | ADORA3ADORA2AADORA1MEN1ALDH1A1 | |
| SCHEMBL7999024 | 0.70 | ALPL (0.53) | ADORA3ADORA2ACYP1A2MEN1ALDH1A1 | |
| SCHEMBL16154002 | 0.69 | LMNA (0.60) | ADORA3ADORA2AADORA1CYP1A2MEN1 | |
| SCHEMBL9581015 | 0.69 | BCL9 (0.57) | CYP1A2MEN1ALDH1A1KMT2AHPGD | |
| SCHEMBL7059235 | 0.69 | ALDH1A1 (0.51) | ADORA3ADORA2AADORA1ALDH1A1KMT2A | |
| SCHEMBL62921 | 0.68 | BCL9 (0.59) | MEN1ALDH1A1KMT2AKDM4ELMNA | |
| SCHEMBL20769806 | 0.68 | BCL9 (0.59) | MEN1ALDH1A1KMT2AKDM4ELMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103857661-A | 1,2, 4-triazolyl-substituted ketoenols | BAYER IP GMBH | 2014-06-11 | — | — | CN | disclosed |