Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.61 |
| ▸ | LMNA | P02545 | 5/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | HTT | P42858 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | MPI | P34949 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL18934422 | 0.87 | CYP3A4 (0.61) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL7093426 | 0.87 | CYP3A4 (0.56) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL21131297 | 0.84 | CYP3A4 (0.62) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL8292092 | 0.84 | CYP3A4 (0.62) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL11134110 | 0.83 | CYP3A4 (0.79) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL2472564 | 0.82 | CYP3A4 (0.60) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| Hydrochloric Acid SCHEMBL29414056 | 0.81 | CYP3A4 (0.76) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL4581102 | 0.80 | CYP3A4 (0.58) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL26466978 | 0.80 | CYP3A4 (0.53) | CYP3A4ADRA2AALDH1A1LMNAKDM4E | |
| SCHEMBL24067974 | 0.79 | CYP3A4 (0.56) | CYP3A4ADRA2AALDH1A1LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005035121-A2 | SCHIFF BASE METAL COMPLEXES FOR USE AS CATALYSTS IN ORGANIC SYNTHESIS | UNIVERSITEIT GENT (BE) | 2005-04-21 | — | — | WO | disclosed |