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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 known ✓ | Q05586 | 1/20 | 0.49 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.49 |
| ▸ | SLC6A3 known ✓ | Q01959 | 4/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.48 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.48 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.48 |
| ▸ | DRD4 known ✓ | P21917 | 1/20 | 0.48 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.48 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | ADRA1B known ✓ | P35368 | 1/20 | 0.48 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.48 |
| ▸ | DHCR7 | Q9UBM7 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL31174290 | 0.88 | DHCR7 (0.60) | DHCR7ABCB1SLC6A3SLC6A4CHRM2 | |
| SCHEMBL9852537 | 0.87 | GRIN1 (0.62) | GRIN1GRIN2BSLC6A3CHRM2HTR1A | |
| Hydrochloric Acid SCHEMBL9852474 | 0.85 | ABCB1 (0.61) | DHCR7ABCB1SLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL9852467 | 0.82 | GRIN1 (0.60) | GRIN1GRIN2BSLC6A3SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL9852480 | 0.81 | SLC6A4 (0.62) | DHCR7ABCB1GRIN1GRIN2BSLC6A3 | |
| SCHEMBL3245091 | 0.78 | SLC6A4 (0.52) | SLC6A3SLC6A2SLC6A4HTR1ADRD3 | |
| SCHEMBL3243957 | 0.77 | SLC6A4 (0.51) | ABCB1SLC6A3SLC6A2SLC6A4HTR1A | |
| SCHEMBL10677739 | 0.76 | ABCB1 (0.58) | DHCR7ABCB1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL7743687 | 0.76 | ABCB1 (0.62) | DHCR7ABCB1GRIN1GRIN2BSLC6A3 | |
| SCHEMBL31174280 | 0.75 | DHCR7 (0.49) | DHCR7HTR1AHTR2CDRD3HTR2B |
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-0422666-A2 | 6-Substituted-1,2,3,4-tetrahydroisoquinolines | ABBOTT LABORATORIES (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4963563-A | TREATING GLAUCOMA; INHIBITORS OF ALPHA-2-ADRENERGIC RECEPTORS | ABBOTT LABORATORIES (US) | 1990-10-16 | — | — | US | disclosed |