Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Terephthalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR5 | P35346 | 1/20 | 0.49 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.45 |
| ▸ | RARB | P10826 | 8/20 | 0.43 |
| ▸ | RARG | P13631 | 8/20 | 0.43 |
| ▸ | RARA | P10276 | 7/20 | 0.43 |
| ▸ | RXRA | P19793 | 8/20 | 0.41 |
| ▸ | RXRB | P28702 | 7/20 | 0.40 |
| ▸ | RXRG | P48443 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Isophthalic Acid SCHEMBL9870177 | 0.91 | AKR1B1 (0.43) | SSTR5AKR1B1RARBRARGRARA | |
| SCHEMBL5736575 | 0.88 | SSTR5 (0.50) | SSTR5AKR1B1RARBRARGRARA | |
| SCHEMBL27259756 | 0.88 | AKR1B1 (0.43) | SSTR5AKR1B1ALDH1A1CYP26A1 | |
| SCHEMBL9180357 | 0.83 | RARB (0.60) | SSTR5RARBRARGRARACYP26A1 | |
| SCHEMBL8758787 | 0.82 | RARB (0.46) | SSTR5AKR1B1RARBRARGRARA | |
| SCHEMBL9850145 | 0.81 | SSTR5 (0.46) | SSTR5RARBRARGRARARXRA | |
| SCHEMBL8158757 | 0.81 | RARA (0.62) | SSTR5RARBRARGRARAALDH1A1 | |
| SCHEMBL9076001 | 0.80 | RARB (0.71) | RARBRARGRARARXRARXRB | |
| SCHEMBL9076004 | 0.80 | RARB (0.71) | RARBRARGRARARXRARXRB | |
| SCHEMBL9076000 | 0.80 | RARB (0.71) | RARBRARGRARARXRARXRB |
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-5015658-A | Treatment of skin disorders such as psoriasis | ALLERGAN, INC. (US) | 1991-05-14 | — | — | US | disclosed |
| CN-1042147-A | Have active thiochroman phenolic ester of similar retinoid and terephthalate | ALLERGAN INC (US) | 1990-05-16 | — | — | CN | disclosed |