Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.46 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.46 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL204755 | 0.81 | ALDH1A1 (0.51) | MAPTALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL15561143 | 0.80 | ALDH1A1 (0.50) | MAPTALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL16859670 | 0.80 | ALDH1A1 (0.50) | MAPTALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL28668014 | 0.78 | KMT2A (0.65) | MAPTALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL25288369 | 0.78 | KMT2A (0.65) | MAPTALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL11122279 | 0.77 | CRHBP (0.46) | MAPTALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL11122284 | 0.77 | CRHBP (0.46) | MAPTALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL2076929 | 0.77 | ALDH1A1 (0.47) | MAPTALDH1A1KMT2AMEN1KDM4E | |
| SCHEMBL31611890 | 0.76 | MAPK1 (0.49) | MAPTALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL21864706 | 0.75 | EGFR (0.55) | MAPTALDH1A1KMT2AMEN1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-109438282-B | Preparation method of 2-nitro-4-trifluoromethyl benzonitrile | 大连奇凯医药科技有限公司 | 2021-09-07 | — | — | CN | claimed |
| CN-109438282-B | Preparation method of 2-nitro-4-trifluoromethyl benzonitrile | 大连奇凯医药科技有限公司 | 2021-09-07 | — | — | CN | disclosed |
| CN-109438282-B | Preparation method of 2-nitro-4-trifluoromethyl benzonitrile | 大连奇凯医药科技有限公司 | 2021-09-07 | — | — | CN | disclosed |