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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B known ✓ | Q13224 | 4/20 | 0.43 |
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.43 |
| ▸ | NPY5R | Q15761 | 4/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | STS | P08842 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 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 | |
|---|---|---|---|---|
| SCHEMBL9448423 | 0.94 | NPY5R (0.43) | GRIN2BGRIN1NPY5RMAPTUSP2 | |
| SCHEMBL9448182 | 0.84 | NPY5R (0.46) | GRIN2BGRIN1NPY5RTRPV1STS | |
| SCHEMBL9448186 | 0.84 | NPY5R (0.46) | GRIN2BGRIN1NPY5RTRPV1STS | |
| SCHEMBL9448048 | 0.77 | NPY5R (0.48) | GRIN2BGRIN1NPY5RMAPTLMNA | |
| SCHEMBL9448043 | 0.77 | NPY5R (0.48) | GRIN2BGRIN1NPY5RMAPTLMNA | |
| Hydrochloric Acid SCHEMBL9448267 | 0.76 | NPY5R (0.48) | GRIN2BGRIN1NPY5RMAPTLMNA | |
| SCHEMBL9448327 | 0.76 | NPY5R (0.48) | GRIN2BGRIN1NPY5RSTSMAPT | |
| SCHEMBL9448284 | 0.76 | CYP19A1 (0.40) | GRIN2BGRIN1NPY5RTRPV1SLC6A9 | |
| SCHEMBL9447984 | 0.76 | NPY5R (0.42) | GRIN2BGRIN1NPY5RTRPV1STS | |
| SCHEMBL9447991 | 0.76 | NPY5R (0.42) | GRIN2BGRIN1NPY5RTRPV1STS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5248677-A | Nervous system disorders or antidepressants | ABBOTT LABORATORIES (US) | 1993-09-28 | — | — | US | disclosed |
| US-5180733-A | Antidepressants or nervous systen disorders | ABBOTT LABORATORIES (US) | 1993-01-19 | — | — | US | disclosed |
| EP-0461353-A1 | Biogenic amine uptake inhibitors | ABBOTT LABORATORIES (US) | 1991-12-18 | — | — | EP | disclosed |