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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 6/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TYR | P14679 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8496737 | 0.94 | PTGS1 (0.40) | PTGS1PTGS2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL8911876 | 0.83 | CA2 (0.39) | PTGS1PTGS2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL8582964 | 0.78 | PTGS2 (0.39) | PTGS1PTGS2ALDH1A1GAACA2 | |
| SCHEMBL8579119 | 0.71 | CYP1A2 (0.40) | PTGS1PTGS2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL11519790 | 0.67 | ALDH1A1 (0.50) | PTGS1PTGS2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL8583061 | 0.67 | HSPA5 (0.32) | PTGS2ALDH1A1CYP2C9GAASMN1; SMN2 | |
| SCHEMBL8580639 | 0.66 | CA2 (0.39) | PTGS1PTGS2ALDH1A1TDP1CYP1A2 | |
| SCHEMBL11518256 | 0.66 | TDP1 (0.41) | ALDH1A1TDP1CYP1A2CYP2C9GAA | |
| SCHEMBL8583284 | 0.66 | PTGS2 (0.31) | PTGS1PTGS2ALDH1A1TDP1GAA | |
| SCHEMBL11451869 | 0.65 | HSP90AA1 (0.48) | ALDH1A1TDP1CYP1A2CYP2C9GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5912259-A | NONSTEROID ANTIINFLAMMATORY AGENTS FOR NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-15 | — | — | US | claimed |
| US-5912259-A | NONSTEROID ANTIINFLAMMATORY AGENTS FOR NERVOUS SYSTEM DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-15 | — | — | US | disclosed |