Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phthalic Anhydride. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | TYMS | P04818 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phthalic Anhydride SCHEMBL27983172 | 0.91 | TDP1 (0.58) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL27671012 | 0.90 | TDP1 (0.78) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL1665312 | 0.87 | TDP1 (0.74) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL28137578 | 0.87 | TDP1 (0.82) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL7798196 | 0.85 | TDP1 (0.70) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL9718937 | 0.85 | TDP1 (0.70) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL28244633 | 0.85 | ALOX15 (0.56) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL28789808 | 0.84 | TDP1 (0.61) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL28279463 | 0.84 | TDP1 (0.88) | TDP1ALOX15ALDH1A1TSHRMAPK1 | |
| Phthalic Anhydride SCHEMBL380499 | 0.84 | TDP1 (1.00) | TDP1ALOX15ALDH1A1TSHRMAPK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070184994-A1 | Phthalate ester as metal working lubricant | FAUNCE JAMES A | 2007-08-09 | — | — | US | claimed |
| EP-0039878-B1 | METHOD OF MAKING MIXED ESTERS OF PHTHALIC ACID | BASF WYANDOTTE CORPORATION (US) | 1983-12-28 | — | — | EP | claimed |
| CN-1884250-A | Process for esterification production of phthalate | CHI QINGSONG (CN) | 2006-12-27 | — | — | CN | disclosed |
| EP-0880495-A1 | HIGH STABILITY AND LOW METALS ESTERS BASED ON 3,5,5-TRIMETHYL-1-HEXANOL | EXXON CHEMICAL PATENTS INC. (US) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997026238-A1 | HIGH STABILITY AND LOW METALS ESTERS BASED ON 3,5,5-TRIMETHYL-1-HEXANOL | EXXON CHEMICAL PATENTS INC. (US) | 1997-07-24 | — | — | WO | disclosed |