Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.46 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL13008135 | 0.83 | CES2 (0.55) | TSHRCES2CES1PARP1OPRM1 | |
| SCHEMBL29480879 | 0.83 | CES2 (0.55) | TSHRCES2CES1PARP1OPRM1 | |
| SCHEMBL11785405 | 0.83 | PARP1 (0.47) | TSHRPARP1CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL11782494 | 0.83 | TDP1 (0.61) | PARP1HDAC6CHRNB2SLC6A2CHRNB4 | |
| SCHEMBL13058295 | 0.82 | TSHR (0.47) | TSHRCES2CES1PARP1OPRM1 | |
| Hydrochloric Acid SCHEMBL29512126 | 0.82 | CES2 (0.53) | TSHRCES2CES1PARP1OPRM1 | |
| SCHEMBL11781951 | 0.81 | HDAC1 (0.43) | HDAC1SLC6A2SLC6A3 | |
| SCHEMBL11782466 | 0.81 | HPGD (0.54) | PARP1CHRNB2SLC6A2CHRNB4CHRNA3 | |
| SCHEMBL11781362 | 0.80 | RAB9A (0.45) | CES2CES1LMNAOPRD1SMN1; SMN2 | |
| SCHEMBL11783815 | 0.80 | TRPM8 (0.53) | TSHRCES2CES1LMNAKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-3982931-A | N,N-di-sec.butyl-benzamide herbicides | MONTEDISON S.P.A. (IT) | 1976-09-28 | — | — | US | disclosed |