Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 3/20 | 0.48 |
| ▸ | TTR | P02766 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SELL | P14151 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SELP | P16109 | 1/20 | 0.42 |
| ▸ | FUT4 | P22083 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11226539 | 0.85 | KDM4E (0.42) | TPMTTTRCA12CA1CA2 | |
| SCHEMBL30632536 | 0.78 | TPMT (0.41) | TPMTTTRCA12CA1CA2 | |
| SCHEMBL7503915 | 0.78 | ANPEP (0.58) | CA12CA1CA2CA9TP53 | |
| SCHEMBL22982 | 0.78 | CA12 (0.65) | TPMTTTRCA12CA1CA2 | |
| SCHEMBL26189 | 0.78 | CA12 (0.65) | TPMTTTRCA12CA1CA2 | |
| SCHEMBL19370742 | 0.77 | CA12 (0.46) | TPMTTTRCA12CA1CA2 | |
| SCHEMBL31408177 | 0.77 | CA1 (0.46) | TPMTTTRCA12CA1CA2 | |
| SCHEMBL8154043 | 0.75 | TSHR (0.60) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL1356413 | 0.75 | FABP3 (0.56) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL23004950 | 0.74 | CA12 (0.61) | TPMTTTRCA12CA1CA2 |
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-102731402-A | Preparation method of 3-trifluoromethylpyrazole-4-carboxylic acid and 3-difluoromethylpyrazole-4-carboxylic acid | SHANGHAI CHEMSPEC INTERNAT LTD | 2012-10-17 | — | — | CN | disclosed |
| CN-102718712-A | Preparation method of 3-difluoro-methyl pyrazole-4-carboxylic acid and 3-trifluoro-methyl pyrazole-4-carboxylic acid | SHANGHAI CHEMSPEC INTERNAT LTD | 2012-10-10 | — | — | CN | disclosed |