Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL223413 | 0.74 | GAA (0.49) | KDM4EL3MBTL1GAAALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL19119186 | 0.72 | GAA (0.47) | KDM4EL3MBTL1GAAALDH1A1TSHR | |
| SCHEMBL354660 | 0.72 | TSHR (0.39) | HTTHCAR2KDM4EL3MBTL1GAA | |
| SCHEMBL8305745 | 0.71 | ALDH1A1 (0.39) | HCAR2L3MBTL1GAAPOLBFTO | |
| SCHEMBL938250 | 0.71 | CYP1A2 (0.49) | HTTHCAR2KDM4EL3MBTL1GAA | |
| SCHEMBL21806565 | 0.71 | HCAR2 (0.36) | HTTHCAR2KDM4EL3MBTL1GAA | |
| SCHEMBL9199743 | 0.71 | HTT (0.48) | HTTKDM4EPOLBCNR2ALDH1A1 | |
| SCHEMBL4340596 | 0.70 | ALDH1A1 (0.55) | CA1CA2KDM4EGAAPOLB | |
| SCHEMBL9199700 | 0.69 | POLB (0.45) | HCAR2KDM4EL3MBTL1GAAPOLB | |
| SCHEMBL2718249 | 0.69 | ALDH1A1 (0.38) | HTTGAAPOLBCNR2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0777666-B1 | SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES | MERRELL PHARMA INC (US) | 1999-03-03 | — | — | EP | claimed |
| EP-0695748-B1 | Tetrazolinone herbicides | BAYER AGROCHEM KK (JP) | 1999-05-06 | — | — | EP | disclosed |
| US-5589439-A | HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0695748-A1 | Tetrazolinone herbicides | NIHON BAYER AGROCHEM K.K. (JP) | 1996-02-07 | — | — | EP | disclosed |