Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 7/20 | 0.42 |
| ▸ | PGK1 | P00558 | 1/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL1626023 | 1.00 | TSHR (0.50) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL1425442 | 0.84 | ALDH1A1 (0.50) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL3341504 | 0.84 | TSHR (0.50) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL10713293 | 0.83 | ALDH1A1 (0.46) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL6491643 | 0.82 | ALDH1A1 (0.49) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL10553475 | 0.82 | TSHR (0.46) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL8461057 | 0.81 | TSHR (0.59) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL359519 | 0.80 | TSHR (0.60) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL1626066 | 0.78 | TSHR (0.58) | TSHRALDH1A1MAPK1CYP3A4VCAM1 | |
| SCHEMBL30953145 | 0.78 | TSHR (0.58) | TSHRALDH1A1MAPK1CYP3A4VCAM1 |
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-112457153-B | Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid | 台州臻挚生物科技有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-112457153-B | Industrial preparation method of 2,4, 5-trifluoro-phenylacetic acid | 台州臻挚生物科技有限公司 | 2022-09-09 | — | — | CN | disclosed |