Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL297137 | 0.89 | HCAR2 (0.47) | ALDH1A1ALOX15HCAR2ADRA2AADRA2C | |
| SCHEMBL18800689 | 0.89 | HCAR2 (0.47) | ALDH1A1ALOX15HCAR2ADRA2AADRA2C | |
| Isopropylbenzene SCHEMBL4657000 | 0.83 | ALDH1A1 (0.46) | ALDH1A1ALOX15SLC6A4RIPK1ADRA2A | |
| Isopropylbenzene SCHEMBL49975 | 0.83 | ALDH1A1 (0.46) | ALDH1A1ALOX15SLC6A4RIPK1ADRA2A | |
| SCHEMBL9549683 | 0.77 | ESR1 (0.39) | ALDH1A1HCAR2HIF1AHTTCACNA1C | |
| Isopropylbenzene SCHEMBL10384274 | 0.76 | GABRA1 (0.43) | ALDH1A1ALOX15SLC6A4RIPK1ADRA2A | |
| Cumene Hydroperoxide SCHEMBL7524874 | 0.76 | ALDH1A1 (0.59) | ALDH1A1ALOX15LMNAKDM4E | |
| SCHEMBL22959697 | 0.76 | RIPK1 (0.42) | HCAR2SLC6A4RIPK1ADRA2AADRA2C | |
| SCHEMBL9502842 | 0.76 | RIPK1 (0.42) | HCAR2SLC6A4RIPK1ADRA2AADRA2C | |
| SCHEMBL11966010 | 0.76 | RIPK1 (0.42) | HCAR2SLC6A4RIPK1ADRA2AADRA2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0339887-B1 | Process for the preparation of indigo compounds | MITSUI TOATSU CHEMICALS (JP) | 1996-07-10 | — | — | EP | claimed |