Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 | |
|---|---|---|---|---|
| ▸ | GLP1R | P43220 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | KIF18A | Q8NI77 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14185030 | 0.78 | NOS3 (0.59) | ALDH1A1TP53LCKNOS3NOS2 | |
| SCHEMBL11739718 | 0.76 | ALDH1A1 (0.37) | ALDH1A1TP53NOS3NOS2KIF18A | |
| SCHEMBL19697390 | 0.74 | S1PR2 (0.41) | ALDH1A1TP53LCKKDM4ESMN1; SMN2 | |
| SCHEMBL11738008 | 0.73 | GLP1R (0.37) | GLP1RALDH1A1SMN1; SMN2 | |
| SCHEMBL27617593 | 0.71 | CA1 (0.48) | ALDH1A1KDM4ECA1CA2MMP1 | |
| SCHEMBL12883359 | 0.65 | POLB (0.43) | ALDH1A1TP53NOS3NOS2KDM4E | |
| SCHEMBL9084722 | 0.64 | SMN1; SMN2 (0.54) | GLP1RALDH1A1SMN1; SMN2MEN1HTT | |
| SCHEMBL8599391 | 0.64 | ALDH1A1 (0.48) | ALDH1A1TP53NOS3NOS2KDM4E | |
| SCHEMBL12883367 | 0.64 | NPC1 (0.32) | SMN1; SMN2 | |
| SCHEMBL23299919 | 0.64 | KIF18A (0.48) | ALDH1A1KIF18AKDM4ESMN1; SMN2MEN1 |
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-4052510-A | 4-ALKYL-2,6-DI(SECONDARY OR TERTIARY ALKYLAMINO) PYRIDINES, COMPOSITIONS THEREOF AND METHODS FOR TREATING DIABETES AND OBESITY | SANDOZ, INC. (US) | 1977-10-04 | — | — | US | disclosed |