Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 4/20 | 0.52 |
| ▸ | CA4 | P22748 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 10/20 | 0.41 |
| ▸ | CES1 | P23141 | 10/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689516 | 0.95 | CA1 (0.56) | CA1CA2CA4CES2CES1 | |
| SCHEMBL10455375 | 0.95 | CA1 (0.52) | CA1CA2CA4CES2CES1 | |
| Lithium Ion SCHEMBL28575314 | 0.95 | CA1 (0.52) | CA1CA2CA4CES2CES1 | |
| SCHEMBL10455294 | 0.95 | CA1 (0.52) | CA1CA2CA4CES2CES1 | |
| SCHEMBL10455354 | 0.95 | CA1 (0.52) | CA1CA2CA4CES2CES1 | |
| Potassium Ion SCHEMBL10455361 | 0.95 | CA1 (0.52) | CA1CA2CA4CES2CES1 | |
| SCHEMBL31265347 | 0.78 | CA1 (0.63) | CA1CA2CA4CES2CES1 | |
| Fluoride SCHEMBL28471026 | 0.78 | CES2 (0.46) | CA1CA2CA4CES2CES1 | |
| SCHEMBL4851418 | 0.78 | CES2 (0.46) | CA1CA2CA4CES2CES1 | |
| SCHEMBL345016 | 0.76 | ALDH1A1 (0.48) | CA1CA2CA4CES2CES1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0194671-B1 | METHOD FOR PRODUCTION OF 2, 3, 4, 5-TETRAFLUOROBENZOIC ACID | Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) | 1990-12-19 | — | — | EP | disclosed |
| US-4769492-A | Method for production of 2,3,4,5-tetrafluorobenzoic acid | NIPPON SHOKUBAI KAGAKU KOGYO CO., LTD. (JP) | 1988-09-06 | — | — | US | disclosed |
| EP-0194671-A2 | Method for production of 2, 3, 4, 5-tetrafluorobenzoic acid | Nippon Shokubai Kagaku Kogyo Co., Ltd (JP) | 1986-09-17 | — | — | EP | disclosed |