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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 3/20 | 0.47 |
| ▸ | RXRB | P28702 | 3/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | DAO | P14920 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | RXRG | P48443 | 2/20 | 0.43 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | RARG | P13631 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17908026 | 0.92 | SRD5A2 (0.55) | RXRARXRBSRD5A2TSHRTP53 | |
| SCHEMBL18284072 | 0.92 | SRD5A2 (0.55) | RXRARXRBSRD5A2TSHRTP53 | |
| SCHEMBL17908052 | 0.92 | SRD5A2 (0.55) | RXRARXRBSRD5A2TSHRTP53 | |
| SCHEMBL6472876 | 0.86 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1CYP1A2KMT2A | |
| SCHEMBL7192 | 0.86 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1CYP1A2KMT2A | |
| SCHEMBL6492862 | 0.86 | CYP2C19 (0.47) | CYP2C19HIF1AALDH1A1CYP1A2KMT2A | |
| SCHEMBL10813673 | 0.84 | CYP2C19 (0.46) | CYP2C19HIF1AALDH1A1CYP1A2KMT2A | |
| Sulfuric Acid SCHEMBL15206476 | 0.81 | CYP2C19 (0.53) | CYP2C19HIF1AALDH1A1KMT2A | |
| Benzoic Acid SCHEMBL5085505 | 0.80 | TSHR (0.61) | RXRARXRBSRD5A2TSHRDAO | |
| Benzoic Acid SCHEMBL5079308 | 0.80 | TSHR (0.61) | RXRARXRBSRD5A2TSHRDAO |
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 |
|---|---|---|---|---|---|---|---|
| CN-101671477-B | Reversible repair composition, preparation method thereof, varnish composition and self-repairing coating material | BYD CO LTD | 2012-07-04 | — | — | CN | disclosed |
| CN-101671477-A | Reversible repair composition, preparation method thereof, varnish composition and self-repairing coating material | BYD CO LTD | 2010-03-17 | — | — | CN | disclosed |