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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | SCN4A | P35499 | 2/20 | 0.45 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093302 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL7138673 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL27489554 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL8088320 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL8966179 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL7775695 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL8093304 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL7775698 | 0.92 | BACE1 (0.52) | BACE1ACHEBCHEALDH1A1 | |
| SCHEMBL30920094 | 0.84 | ACHE (0.58) | BACE1ACHEBCHE | |
| Dimethylamine SCHEMBL27829630 | 0.80 | BACE1 (0.53) | BACE1ACHEBCHEALDH1A1 |
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-6127400-A | (3R,1'S)-3-((1'-N-METHYLAMINO)ETHYL)-N-BENZYLPYRROLIDINE MONOMETHANESULFONATE AS INTERMEDIATE FOR A QUINOLONE ANTIBIOTICS | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-03 | — | — | US | claimed |