Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MC4R | P32245 | 1/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4368693 | 0.79 | PDCD1 (0.43) | PDCD1CD274GCGRTSHRMCL1 | |
| SCHEMBL1983593 | 0.77 | GABRA1 (0.46) | GABRA1GABRB2PDCD1CD274SIGMAR1 | |
| SCHEMBL28329969 | 0.73 | GABRA1 (0.59) | GABRA1GABRB2KMT2APOLBALDH1A1 | |
| Hydrogen Peroxide SCHEMBL5685702 | 0.71 | GABRA1 (0.65) | GABRA1GABRB2SIGMAR1POLB | |
| SCHEMBL1535892 | 0.70 | DPP4 (0.54) | PDCD1CD274KMT2APOLBALDH1A1 | |
| SCHEMBL10525253 | 0.70 | GABRA1 (0.54) | GABRA1GABRB2KMT2ATSHR | |
| SCHEMBL4630258 | 0.70 | KMT2A (0.60) | GABRA1GABRB2PDCD1CD274KMT2A | |
| SCHEMBL27546468 | 0.70 | BCL2L1 (0.46) | PDCD1CD274KMT2AMCL1ALDH1A1 | |
| SCHEMBL35210163 | 0.70 | GABRA1 (0.39) | GABRA1GABRB2BCL2MCL1ALDH1A1 | |
| SCHEMBL1156949 | 0.70 | GABRA1 (0.42) | GABRA1GABRB2KMT2AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2504323-A1 | NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY | Allergan, Inc. (US) | 2012-10-03 | — | — | EP | disclosed |
| WO-2011066184-A1 | NOVEL COMPOUNDS AS RECEPTOR MODULATORS WITH THERAPEUTIC UTILITY | ALLERGAN, INC. (US) | 2011-06-03 | — | — | WO | disclosed |