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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.80 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.80 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.70 |
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | DAO | P14920 | 1/20 | 0.65 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.63 |
| ▸ | CES2 | O00748 | 3/20 | 0.62 |
| ▸ | CES1 | P23141 | 3/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 1/20 | 0.56 |
| ▸ | RXRB | P28702 | 1/20 | 0.56 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL28195120 | 1.00 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| Benzoic Acid SCHEMBL5706549 | 0.95 | TSHR (0.74) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| Benzoic Acid SCHEMBL10436416 | 0.95 | TSHR (0.74) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| Benzoic Acid SCHEMBL27993303 | 0.92 | TSHR (0.70) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| Benzoic Acid SCHEMBL28256202 | 0.92 | TSHR (0.70) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| 4-Methylbenzoic Acid SCHEMBL14723409 | 0.92 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| 4-Methylbenzoic Acid SCHEMBL7940172 | 0.92 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| 4-Methylbenzoic Acid SCHEMBL27936299 | 0.92 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| Paraben SCHEMBL388088 | 0.91 | CA12 (0.70) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO | |
| Benzoic Acid SCHEMBL7216440 | 0.90 | TSHR (0.67) | ALDH1A1SMN1; SMN2SRD5A2TSHRDAO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104147807-B | Thick chemicals crystallizer | 英威达纺织（英国）有限公司 | 2018-01-02 | — | — | CN | disclosed |
| US-6429346-B2 | Simultaneous process for simulated moving-bed dismutation and separation of toluene into benzene and xylenes | INSTITUT FRANCAIS DU PETROLE (FR) | 2002-08-06 | — | — | US | disclosed |
| US-20010031903-A1 | Simultaneous process for simulated moving-bed dismutation and separation of toluene into benzene and xylenes | INSTITUT FRANCAIS DU PETROLE (FR) | 2001-10-18 | — | — | US | disclosed |
| US-4055534-A | MOLECULAR WEIGHT, DIISOCYANATE | HORIZONS INCORPORATED, A DIVISION OF HORIZONS RESEARCH INCORPORATED (US) | 1977-10-25 | — | — | US | disclosed |