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 | |
|---|---|---|---|---|
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.39 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | CASP7 | P55210 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL147075 | 0.88 | ALOX15 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Dimethyl Sulfone SCHEMBL28788640 | 0.88 | CYP3A4 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Sulfuric Acid SCHEMBL29647896 | 0.88 | ALOX15 (0.62) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Sulfuric Acid SCHEMBL29559847 | 0.86 | ALOX15 (0.59) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Sulfuric Acid SCHEMBL1599591 | 0.86 | ALOX15 (0.59) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| O-Tolylamine SCHEMBL30505312 | 0.85 | CYP3A4 (0.65) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| O-Tolylamine SCHEMBL4537950 | 0.85 | CYP3A4 (0.65) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| SCHEMBL38661071 | 0.84 | CA1 (0.45) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Sulfuric Acid SCHEMBL9452067 | 0.83 | ALOX15 (0.56) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 | |
| Sulfuric Acid SCHEMBL9681860 | 0.82 | CYP3A4 (0.48) | CYP3A4ALOX15SMN1; SMN2CASP1CASP7 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7173060-B2 | Oxime derivatives and their use as pharmaceutically active agents | HOFFMANN-LA ROCHE INC. | 2007-02-06 | — | — | US | claimed |
| EP-1613622-A1 | OXIME DERIVATIVES AND THEIR USE AS PHARMACEUTICALLY ACTIVE AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-11 | — | — | EP | claimed |
| US-20040214880-A1 | Oxime derivatives and their use as pharmaceutically active agents | HOFFMANN-LA ROCHE INC. | 2004-10-28 | — | — | US | claimed |
| WO-2004087693-A1 | OXIME DERIVATIVES AND THEIR USE AS PHARMACEUTICALLY ACTIVE AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-14 | — | — | WO | claimed |
| US-7173060-B2 | Oxime derivatives and their use as pharmaceutically active agents | HOFFMANN-LA ROCHE INC. | 2007-02-06 | — | — | US | disclosed |
| EP-1613622-A1 | OXIME DERIVATIVES AND THEIR USE AS PHARMACEUTICALLY ACTIVE AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-01-11 | — | — | EP | disclosed |
| US-20040214880-A1 | Oxime derivatives and their use as pharmaceutically active agents | HOFFMANN-LA ROCHE INC. | 2004-10-28 | — | — | US | disclosed |
| WO-2004087693-A1 | OXIME DERIVATIVES AND THEIR USE AS PHARMACEUTICALLY ACTIVE AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2004-10-14 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040214880-A1 | Oxime derivatives and their use as pharmaceutically active agents | HDAC1, HDAC2, HDAC5 | PIK3CA 3535/4885ADRA2B 858/4885CYP3A4 143/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.