Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5787593 | 0.87 | ALDH1A1 (0.59) | ALDH1A1CA1CA2GPR35CYP3A4 | |
| SCHEMBL19357885 | 0.81 | CA1 (0.49) | ALDH1A1CA1CA2CYP3A4CYP1A2 | |
| SCHEMBL9737315 | 0.81 | CA1 (0.67) | ALDH1A1CA1CA2GPR35CYP1A2 | |
| SCHEMBL15822246 | 0.79 | ALDH1A1 (0.50) | ALDH1A1CA1CA2GPR35CYP3A4 | |
| SCHEMBL15727754 | 0.79 | CA1 (0.47) | ALDH1A1CA1CA2GPR35CYP3A4 | |
| SCHEMBL10656624 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CA1CA2GPR35CYP3A4 | |
| SCHEMBL28057357 | 0.77 | NPC1 (0.50) | ALDH1A1NR1H4TDP1SMN1; SMN2 | |
| SCHEMBL14744103 | 0.77 | GPR35 (0.65) | ALDH1A1GPR35CYP3A4CYP1A2CYP2C9 | |
| SCHEMBL7589858 | 0.76 | ALDH1A1 (0.48) | ALDH1A1CA1CA2CYP3A4CYP1A2 | |
| SCHEMBL20298733 | 0.76 | ALDH1A1 (0.50) | ALDH1A1GPR35CYP3A4CYP1A2CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105418431-A | Synthesis method of 2-chloro-6-bromo-p-nitrobenzoic acid | DING YUQIN | 2016-03-23 | — | — | CN | claimed |
| CN-105418431-A | Synthesis method of 2-chloro-6-bromo-p-nitrobenzoic acid | DING YUQIN | 2016-03-23 | — | — | CN | disclosed |
| CN-105418431-A | Synthesis method of 2-chloro-6-bromo-p-nitrobenzoic acid | DING YUQIN | 2016-03-23 | — | — | CN | disclosed |
| CN-105418431-A | Synthesis method of 2-chloro-6-bromo-p-nitrobenzoic acid | DING YUQIN | 2016-03-23 | — | — | CN | disclosed |