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 | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.83 |
| ▸ | CNR2 | P34972 | 6/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.83 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.83 |
| ▸ | RGS12 | O14924 | 1/20 | 0.83 |
| ▸ | GMNN | O75496 | 1/20 | 0.83 |
| ▸ | LMNA | P02545 | 1/20 | 0.83 |
| ▸ | TP53 | P04637 | 1/20 | 0.83 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.83 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.83 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.83 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.83 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.83 |
| ▸ | THPO | P40225 | 1/20 | 0.83 |
| ▸ | BLM | P54132 | 1/20 | 0.83 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.83 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.83 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.83 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.83 |
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 | |
|---|---|---|---|---|
| SCHEMBL10380017 | 0.96 | CNR1 (0.82) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL1517636 | 0.91 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL8071465 | 0.91 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL29496357 | 0.91 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL9728557 | 0.87 | CNR2 (0.81) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL29611661 | 0.86 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL29410177 | 0.86 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL29381882 | 0.86 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL3680086 | 0.86 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 | |
| Win-552122 SCHEMBL29361053 | 0.86 | CNR1 (1.00) | CNR1CNR2ALDH1A1CYP3A4CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5109135-A | 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates | STERLING DRUG INC. (US) | 1992-04-28 | — | — | US | disclosed |
| US-5066803-A | Chemical intermediates for analgesics | STERLING DRUG INC. (US) | 1991-11-19 | — | — | US | disclosed |
| WO-1990007505-A1 | 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES | STERLING DRUG INC. (US) | 1990-07-12 | — | — | WO | disclosed |
| US-4939138-A | 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines | STERLING DRUG INC. (US) | 1990-07-03 | — | — | US | disclosed |