Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | CCNC | P24863 | 1/20 | 0.35 |
| ▸ | CDK8 | P49336 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | PTPRC | P08575 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17057025 | 0.85 | DPP4 (0.41) | PRKDCCES1PTGS1CYP2A6CCNC | |
| SCHEMBL14397797 | 0.82 | GPR35 (0.40) | PRKDCNPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL2229447 | 0.80 | DPP4 (0.50) | L3MBTL1MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL11278818 | 0.79 | PTGS1 (0.41) | PRKDCPTGS1NPC1RAB9AMEN1 | |
| SCHEMBL967386 | 0.79 | RORC (0.47) | CYP2A6NPC1RAB9AMEN1ALDH1A1 | |
| SCHEMBL5705105 | 0.79 | CYP3A4 (0.38) | PRKDCNPC1RAB9AL3MBTL1MEN1 | |
| SCHEMBL7459787 | 0.79 | PRKDC (0.35) | PRKDCNPC1RAB9APKMMEN1 | |
| SCHEMBL6822436 | 0.79 | PTGS1 (0.40) | PRKDCPTGS1CYP2A6NPC1RAB9A | |
| SCHEMBL3975326 | 0.79 | PTGS1 (0.37) | PRKDCCES1PTGS1 | |
| SCHEMBL16049525 | 0.79 | PTGS1 (0.40) | PRKDCPTGS1CCNCCDK8ALDH1A1 |
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-115353505-A | Synthesis method of (3, 3 '-bithiophene) -4,4' -dicarboxaldehyde | 上海应用技术大学 | 2022-11-18 | — | — | CN | disclosed |
| CN-105820151-A | 2,2 '-di (styryl) -3, 3' -bithiophene derivative, synthetic method and application thereof | 上海应用技术学院 | 2016-08-03 | — | — | CN | disclosed |
| US-5158598-A | Insecticides, miticides, and nematocides; nonphytotoxic | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-27 | — | — | US | disclosed |