Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPD | P32754 | 3/20 | 0.59 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.58 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.58 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.58 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | FLT1 | P17948 | 1/20 | 0.54 |
| ▸ | FLT4 | P35916 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | HPGD | P15428 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TTR | P02766 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL442397 | 0.98 | HPD (0.60) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| Hydrochloric Acid SCHEMBL11776053 | 0.97 | HPD (0.59) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL22749348 | 0.90 | ALDH1A1 (0.72) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| Piperidine SCHEMBL3903114 | 0.86 | HPD (0.56) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL6224986 | 0.86 | AKR1B1 (0.51) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL8492000 | 0.86 | MAPT (0.49) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL8942455 | 0.86 | MAPT (0.49) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL16031334 | 0.85 | TTR (0.64) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL5452045 | 0.85 | HPD (0.60) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL4658862 | 0.84 | HPD (0.62) | HPDAKR1B1AKR1C4AKR1C3AKR1C2 |
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-114907232-B | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-114907232-A | Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile | 青岛和兴精细化学有限公司 | 2022-08-16 | — | — | CN | disclosed |