Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHAT | P28329 | 7/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.46 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.46 |
| ▸ | TERT | O14746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | ALPG | P10696 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7044936 | 0.87 | CYP2A6 (0.47) | CHATRAB9AKDM4EAPOBEC3AAPOBEC3G | |
| SCHEMBL11398927 | 0.87 | CYP2A6 (0.47) | CHATRAB9AKDM4EAPOBEC3AAPOBEC3G | |
| SCHEMBL11386724 | 0.86 | RAB9A (0.51) | CHATRAB9AKDM4EAPOBEC3AAPOBEC3G | |
| SCHEMBL11386719 | 0.86 | RAB9A (0.51) | CHATRAB9AKDM4EAPOBEC3AAPOBEC3G | |
| SCHEMBL10968004 | 0.85 | TERT (0.46) | CHATRAB9AKDM4EAPOBEC3AAPOBEC3G | |
| SCHEMBL4688796 | 0.85 | TERT (0.43) | CHATRAB9AKDM4ETERTALDH1A1 | |
| SCHEMBL31397607 | 0.84 | TERT (0.48) | CHATKDM4ETERTALDH1A1MEN1 | |
| SCHEMBL531126 | 0.83 | MEN1 (0.63) | RAB9AAPOBEC3AAPOBEC3GTERTALDH1A1 | |
| SCHEMBL531127 | 0.83 | MEN1 (0.63) | RAB9AAPOBEC3AAPOBEC3GTERTALDH1A1 | |
| SCHEMBL7047125 | 0.83 | CYP2A6 (0.48) | CHATRAB9AKDM4ETERTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2408756-A1 | ALPHA-(N-BENZENESULFONAMIDO)CYCLOALKYL DERIVATIVES | Bristol-Myers Squibb Company (US) | 2012-01-25 | — | — | EP | disclosed |