Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL27555021 | 0.86 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL27895758 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL28315230 | 0.79 | GPR35 (0.41) | ALDH1A1TSHRCYP3A4MEN1KMT2A | |
| SCHEMBL10599533 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TDP1TSHRCYP3A4HSD17B10 | |
| SCHEMBL23122433 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TDP1CYP3A4MEN1MAPT | |
| SCHEMBL16831028 | 0.79 | AR (0.37) | ALDH1A1TDP1MEN1MAPTKMT2A | |
| SCHEMBL25784104 | 0.77 | ALDH1A1 (0.50) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL30186077 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL1199723 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4MEN1 | |
| SCHEMBL27857101 | 0.76 | ALDH1A1 (0.54) | ALDH1A1TDP1TSHRCYP3A4MEN1 |
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-102491901-A | Preparation method of 4-bromine-2-nitro trifluoromethyl benzene | DALIAN QIKAI MEDICAL TECHNOLOGY CO LTD | 2012-06-13 | — | — | CN | claimed |
| CN-102491901-A | Preparation method of 4-bromine-2-nitro trifluoromethyl benzene | DALIAN QIKAI MEDICAL TECHNOLOGY CO LTD | 2012-06-13 | — | — | CN | disclosed |