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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.88 |
| ▸ | MEN1 | O00255 | 3/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | CES1 | P23141 | 2/20 | 0.71 |
| ▸ | CA1 | P00915 | 2/20 | 0.68 |
| ▸ | CA2 | P00918 | 2/20 | 0.68 |
| ▸ | CES2 | O00748 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | GSK3B | P49841 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| 4-Nitrobenzoic Acid SCHEMBL43476 | 1.00 | TDP1 (1.00) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL17332086 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL10720762 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL10439552 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL17332069 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL321099 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL9316553 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL8025368 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL11773857 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 | |
| 4-Nitrobenzoic Acid SCHEMBL1566327 | 0.98 | TDP1 (0.95) | TDP1SRD5A2MEN1KMT2ACES1 |
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-104693057-A | Preparation method of 2,5-diamino terephthalic acid | SHANGHAI INST TECHNOLOGY | 2015-06-10 | — | — | CN | claimed |
| CN-104693057-A | Preparation method of 2,5-diamino terephthalic acid | SHANGHAI INST TECHNOLOGY | 2015-06-10 | — | — | CN | disclosed |