Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.44 |
| ▸ | TACR3 | P29371 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.37 |
| ▸ | MC4R | P32245 | 1/20 | 0.37 |
| ▸ | KRAS | P01116 | 1/20 | 0.37 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL3404770 | 0.98 | SIGMAR1 (0.42) | SIGMAR1TACR3KCNH2ALDH1A1TP53 | |
| SCHEMBL3404354 | 0.87 | SIGMAR1 (0.46) | SIGMAR1TACR3KCNH2ALDH1A1TP53 | |
| SCHEMBL3399827 | 0.85 | SIGMAR1 (0.43) | SIGMAR1TACR3KCNH2ALDH1A1TP53 | |
| SCHEMBL3396747 | 0.79 | ALDH1A1 (0.40) | TACR3ALDH1A1TACR2OPRM1 | |
| SCHEMBL3405678 | 0.79 | ALDH1A1 (0.38) | SIGMAR1TACR3KCNH2ALDH1A1TP53 | |
| SCHEMBL3399916 | 0.78 | ALDH1A1 (0.42) | SIGMAR1TACR3ALDH1A1TACR2OPRM1 | |
| SCHEMBL13310392 | 0.78 | ALDH1A1 (0.42) | SIGMAR1TACR3ALDH1A1TACR2OPRM1 | |
| SCHEMBL3399762 | 0.73 | KMT2A (0.45) | SIGMAR1ALDH1A1KDM4ETMEM97 | |
| SCHEMBL3405421 | 0.72 | HTR2C (0.43) | ALDH1A1KDM4E | |
| SCHEMBL3403623 | 0.71 | TLR8 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7728009-B1 | Thiazole amides, imidazole amides and related analogues | NEUROGEN CORPORATION (US) | 2010-06-01 | — | — | US | disclosed |
| US-7728009-B1 | Thiazole amides, imidazole amides and related analogues | NEUROGEN CORPORATION (US) | 2010-06-01 | — | — | US | disclosed |
| US-7728009-B1 | Thiazole amides, imidazole amides and related analogues | NEUROGEN CORPORATION (US) | 2010-06-01 | — | — | US | disclosed |
| WO-2006089076-A9 | THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES | NEUROGEN CORP (US) | 2007-04-26 | — | — | WO | disclosed |