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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | RNPEP | Q9H4A4 | 1/20 | 0.41 |
| ▸ | DNPEP | Q9ULA0 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | EPOR | P19235 | 1/20 | 0.39 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Lisdexamfetamine SCHEMBL678421 | 0.82 | MMP2 (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Lisdexamfetamine SCHEMBL29124173 | 0.82 | MMP2 (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Lisdexamfetamine SCHEMBL970534 | 0.82 | MMP2 (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Amphetamine SCHEMBL27878191 | 0.80 | THRB (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Amphetamine SCHEMBL973960 | 0.80 | THRB (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Amphetamine SCHEMBL969812 | 0.80 | THRB (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Dextroamphetamine SCHEMBL19873157 | 0.80 | THRB (0.59) | MMP2THRBANPEPLTA4HRNPEP | |
| Amphetamine SCHEMBL27878190 | 0.79 | MMP2 (0.49) | MMP2THRBANPEPLTA4HRNPEP | |
| Methamphetamine SCHEMBL7045537 | 0.79 | MMP2 (0.52) | MMP2ANPEPLTA4HRNPEPDNPEP | |
| SCHEMBL972499 | 0.78 | MMP2 (0.60) | MMP2THRBANPEPLTA4HRNPEP |
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-1865980-A2 | ABUSE-RESISTANT AMPHETAMINE PRODRUGS | New River Pharmaceuticals Inc. (US) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006121552-A2 | ABUSE-RESISTANT AMPHETAMINE PRODRUGS | NEW RIVER PHARMACEUTICALS INC. (US) | 2006-11-16 | — | — | WO | disclosed |