Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.48 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | POLQ | O75417 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.43 |
| ▸ | RXRB | P28702 | 1/20 | 0.43 |
| ▸ | RXRG | P48443 | 1/20 | 0.43 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28141847 | 0.85 | TP53 (0.50) | TP53HSD17B1HSD17B2RXFP1CES2 | |
| SCHEMBL11174926 | 0.85 | TACR1 (0.50) | TP53HSD17B1HSD17B2RXFP1CES2 | |
| SCHEMBL10943479 | 0.83 | TP53 (0.49) | TP53HSD17B1HSD17B2RXFP1CES2 | |
| SCHEMBL14955365 | 0.83 | POLQ (0.51) | TP53HSD17B1HSD17B2RXFP1CES2 | |
| SCHEMBL1118844 | 0.82 | PTGIR (0.46) | TP53CES2TACR1MAPTHTT | |
| SCHEMBL9835938 | 0.81 | CES2 (0.49) | TP53CES2ALDH1A1MAPTHTT | |
| SCHEMBL9835457 | 0.81 | CES2 (0.49) | TP53CES2ALDH1A1MAPTHTT | |
| SCHEMBL7675880 | 0.81 | TP53 (0.54) | TP53HSD17B1HSD17B2RXFP1CES2 | |
| SCHEMBL12220665 | 0.81 | RXFP1 (0.54) | TP53HSD17B1HSD17B2RXFP1CES2 | |
| SCHEMBL11402034 | 0.81 | POLQ (0.52) | TP53HSD17B1HSD17B2RXFP1CES2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5767286-A | REACTING A TETRAZOLINONE WITH A CARBAMOYL CHLORIDE IN THE PRESENCE OF 4-DIMETHYLAMINOPYRIDINE | NIHON BAYER AGROCHEM K. K. (JP) | 1998-06-16 | — | — | US | disclosed |
| EP-0646577-B1 | Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones | BAYER AGROCHEM KK (JP) | 1998-06-03 | — | — | EP | disclosed |
| EP-0646577-A1 | Process for the preparation of 1,4-disubstituted-5(4H)-tetrazolinones | NIHON BAYER AGROCHEM K.K. (JP) | 1995-04-05 | — | — | EP | disclosed |
| US-4046909-A | Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants | MCNEIL LABORATORIES, INCORPORATED (US) | 1977-09-06 | — | — | US | disclosed |
| US-3998958-A | Pyrrolidylidene, piperidylidene and hexahydroazepinylidene ureas as CNS depressants | MCNEIL LABORATORIES, INCORPORATED (US) | 1976-12-21 | — | — | US | disclosed |