Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Phthalic Acid. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
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 Acid SCHEMBL29142307 | 0.95 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2TSHRMEN1KMT2A | |
| Phthalic Acid SCHEMBL29142251 | 0.94 | TSHR (0.40) | ALDH1A1SMN1; SMN2MAPTHTTTSHR | |
| Phthalic Acid SCHEMBL29142322 | 0.92 | ALDH1A1 (0.37) | ALDH1A1HTTTSHRKDM4EMEN1 | |
| Phthalic Acid SCHEMBL29142300 | 0.91 | TSHR (0.38) | ALDH1A1SMN1; SMN2MAPTHTTTSHR | |
| Phthalic Acid SCHEMBL29142289 | 0.90 | TSHR (0.37) | ALDH1A1SMN1; SMN2MAPTHTTTSHR | |
| Phthalic Acid SCHEMBL29142329 | 0.89 | HSP90AA1 (0.45) | ALDH1A1SMN1; SMN2HTTTSHRMEN1 | |
| Naphthalene SCHEMBL28400409 | 0.88 | HTT (0.41) | ALDH1A1SMN1; SMN2MAPTHTTKDM4E | |
| Phthalic Acid SCHEMBL29142344 | 0.87 | ALDH1A1 (0.39) | ALDH1A1HTTKMT2ACA12CA9 | |
| Acetic Acid SCHEMBL35015 | 0.87 | MEN1 (0.43) | SMN1; SMN2PABPC1MEN1KMT2AHSP90AA1 | |
| Phthalic Acid SCHEMBL29142355 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TSHRMEN1KMT2AHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117440991-A | Polysiloxane composition | 默克专利有限公司 | 2024-01-23 | — | — | CN | disclosed |