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 | |
|---|---|---|---|---|
| ▸ | SLC6A4 known ✓ | P31645 | 13/20 | 0.43 |
| ▸ | GRIN1 known ✓ | Q05586 | 3/20 | 0.43 |
| ▸ | GRIN2A known ✓ | Q12879 | 3/20 | 0.43 |
| ▸ | GRIN2D known ✓ | O15399 | 1/20 | 0.43 |
| ▸ | GRIN3B known ✓ | O60391 | 1/20 | 0.43 |
| ▸ | GRIN2B known ✓ | Q13224 | 1/20 | 0.43 |
| ▸ | GRIN2C known ✓ | Q14957 | 1/20 | 0.43 |
| ▸ | GRIN3A known ✓ | Q8TCU5 | 1/20 | 0.43 |
| ▸ | SLC6A3 known ✓ | Q01959 | 10/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.40 |
| ▸ | TACR1 known ✓ | P25103 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7378848 | 0.92 | SLC6A4 (0.46) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| SCHEMBL7546727 | 0.92 | SLC6A4 (0.46) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| Hydrochloric Acid SCHEMBL7949501 | 0.91 | SLC6A4 (0.45) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| SCHEMBL7949675 | 0.89 | AKR1B1 (0.43) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| SCHEMBL9545809 | 0.87 | SLC6A4 (0.43) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| Mandelic Acid SCHEMBL5394925 | 0.83 | SLC6A4 (0.38) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| SCHEMBL7528171 | 0.72 | GRIN1 (0.50) | SLC6A4GRIN1GRIN2ALMNAOPRK1 | |
| SCHEMBL4784319 | 0.72 | KDM1A (0.46) | SLC6A4SLC6A3SLC6A2KDM1AKMT2A | |
| Hydrochloric Acid SCHEMBL7755304 | 0.71 | KDM1A (0.45) | SLC6A4OPRM1SLC6A3SLC6A2KCNH2 | |
| SCHEMBL16404981 | 0.70 | TRPV3 (0.40) | SLC6A4SLC6A3SLC6A2KCNH2CYP2D6 |
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-6262308-B1 | REACTING 4-(3,4-DICHLOROPHENYL)TETRALONE WITH N-METHYLFORMAMIDE IN PRESENCE OF FORMIC ACID; SELECTIVE CRYSTALLIZATION | CATALYS (FR) | 2001-07-17 | — | — | US | disclosed |