Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 5/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10709880 | 0.96 | ALDH1A1 (0.52) | ALDH1A1MAPTMAPK1MEN1TP53 | |
| SCHEMBL10712309 | 0.89 | ALDH1A1 (0.48) | ALDH1A1MAPTMAPK1MEN1TP53 | |
| SCHEMBL8314510 | 0.88 | VCAM1 (0.45) | ALDH1A1MAPTMAPK1MEN1TP53 | |
| SCHEMBL10710731 | 0.80 | TSHR (0.65) | ALDH1A1MAPTMAPK1CYP3A4HPGD | |
| Pentachloronitrobenzene SCHEMBL28271485 | 0.79 | TSHR (0.48) | ALDH1A1MAPTMAPK1SMN1; SMN2TSHR | |
| Pentachloronitrobenzene SCHEMBL69247 | 0.77 | TSHR (0.62) | ALDH1A1MAPTTP53CYP3A4HPGD | |
| SCHEMBL31456573 | 0.75 | VCAM1 (0.39) | ALDH1A1MAPTMAPK1TP53TSHR | |
| SCHEMBL28440655 | 0.75 | VCAM1 (0.39) | ALDH1A1MAPTMAPK1TP53TSHR | |
| Pentachloronitrobenzene SCHEMBL18438924 | 0.75 | TSHR (0.59) | ALDH1A1MAPTTP53CYP3A4HPGD | |
| SCHEMBL9776159 | 0.75 | TSHR (0.59) | ALDH1A1MAPTTP53CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0118971-B1 | PROCESS FOR THE PREPARATION OF CYANOTETRACHLOROBENZENES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-12-07 | — | — | EP | disclosed |
| US-4517129-A | CHEMICAL INTERMEDIATES FOR PESTICIDES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-05-14 | — | — | US | disclosed |
| EP-0118971-A1 | Process for the preparation of cyanotetrachlorobenzenes | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1984-09-19 | — | — | EP | disclosed |