Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 4/20 | 0.45 |
| ▸ | CTSB | P07858 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CASP6 | P55212 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 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 | |
|---|---|---|---|---|
| SCHEMBL1812870 | 1.00 | GPR35 (0.45) | GPR35CTSBSMN1; SMN2HPGDTSHR | |
| SCHEMBL29967588 | 0.88 | GPR35 (0.45) | GPR35CTSBSMN1; SMN2HPGDTSHR | |
| SCHEMBL1938445 | 0.88 | GPR35 (0.45) | GPR35CTSBSMN1; SMN2HPGDTSHR | |
| SCHEMBL11686194 | 0.79 | GPR35 (0.50) | GPR35SMN1; SMN2TSHRALOX12ALOX15 | |
| SCHEMBL30679179 | 0.78 | TDP1 (0.43) | GPR35HPGDTSHRCYP3A4ALOX12 | |
| SCHEMBL2012619 | 0.78 | TDP1 (0.43) | GPR35HPGDTSHRCYP3A4ALOX12 | |
| SCHEMBL6905228 | 0.78 | TSHR (0.46) | GPR35SMN1; SMN2HPGDTSHRALOX12 | |
| SCHEMBL16225013 | 0.76 | TDP1 (0.50) | GPR35SMN1; SMN2TSHRCYP3A4MAPT | |
| SCHEMBL11717704 | 0.76 | GPR35 (0.42) | GPR35CTSBSMN1; SMN2HPGDTSHR | |
| SCHEMBL1938443 | 0.75 | TDP1 (0.43) | GPR35HPGDTSHRCYP3A4ALOX12 |
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-118084673-A | Method for preparing 2, 4-dinitro-6-sec-butylphenol by micro-channel equipment | 吉林省九新实业集团化工有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-118084673-A | Method for preparing 2, 4-dinitro-6-sec-butylphenol by micro-channel equipment | 吉林省九新实业集团化工有限公司 | 2024-05-28 | — | — | CN | disclosed |