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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | METAP1 | P53582 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.43 |
| ▸ | TDP2 | O95551 | 2/20 | 0.41 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA6 | P23280 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Paraben SCHEMBL18142027 | 0.93 | CA2 (0.55) | TSHRTP53METAP1SRD5A2TDP2 | |
| Hydantoin SCHEMBL2875362 | 0.79 | CRBN (0.41) | CRBN | |
| Hydantoin SCHEMBL17274233 | 0.79 | CRBN (0.41) | CRBNALDH1A1 | |
| Hydantoin SCHEMBL27690 | 0.78 | — | — | |
| Hydantoin SCHEMBL7285865 | 0.78 | — | — | |
| Hydantoin SCHEMBL10636755 | 0.76 | CRBN (0.42) | CRBNHDAC1HDAC6 | |
| Hydantoin SCHEMBL29207375 | 0.76 | CRBN (0.42) | TDP2CRBN | |
| Hydantoin SCHEMBL16971290 | 0.76 | CRBN (0.42) | CRBNALDH1A1HDAC1HDAC6 | |
| Biphenyl SCHEMBL1712625 | 0.75 | TYRO3 (0.42) | TDP2CRBNALDH1A1SMN1; SMN2 | |
| Hydantoin SCHEMBL1786052 | 0.75 | — | — |
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-4141928-A | POLYOXYALKYLATED HYDANTOIN, BLOCK POLYMERS | MONSANTO COMPANY (US) | 1979-02-27 | — | — | US | disclosed |
| US-4122072-A | FIBERS, MODIFIED BY HYDANTOIN DERIVATIVES | MONSANTO COMPANY (US) | 1978-10-24 | — | — | US | disclosed |