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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 10/20 | 0.82 |
| ▸ | DRD1 known ✓ | P21728 | 8/20 | 0.70 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.70 |
| ▸ | DRD5 known ✓ | P21918 | 1/20 | 0.70 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.59 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.59 |
| ▸ | THPO | P40225 | 3/20 | 0.59 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | MTOR | P42345 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | BLM | P54132 | 3/20 | 0.58 |
| ▸ | GFER | P55789 | 2/20 | 0.58 |
| ▸ | PKM | P14618 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL11088986 | 0.93 | DRD2 (0.80) | DRD2DRD1DRD4DRD5DRD3 | |
| Bromide SCHEMBL11089672 | 0.92 | DRD2 (0.78) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11273914 | 0.83 | DRD2 (1.00) | DRD2DRD1DRD4DRD5DRD3 | |
| Bromide SCHEMBL11101325 | 0.82 | DRD2 (0.98) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11096642 | 0.80 | DRD2 (0.64) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11240206 | 0.80 | DRD2 (0.75) | DRD2DRD1DRD4DRD5DRD3 | |
| Bromide SCHEMBL11093003 | 0.79 | DRD2 (0.62) | DRD2DRD1DRD4DRD5DRD3 | |
| Bromide SCHEMBL11094035 | 0.79 | DRD2 (0.78) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11100861 | 0.78 | DRD2 (0.78) | DRD2DRD1DRD4DRD5DRD3 | |
| SCHEMBL11157314 | 0.75 | DRD2 (0.81) | DRD2DRD1DRD4DRD5DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0043729-B1 | NEW DOPAMINERGIC ISOQUINOLINES | SMITHKLINE BECKMAN CORPORATION (US) | 1984-02-01 | — | — | EP | claimed |
| US-4340601-A | VASODILATION | SMITHKLINE CORPORATION (US) | 1982-07-20 | — | — | US | claimed |
| EP-0043729-A1 | New dopaminergic isoquinolines | SMITHKLINE BECKMAN CORPORATION (US) | 1982-01-13 | — | — | EP | claimed |