Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4402307 | 0.85 | NPSR1 (0.47) | GFERLMNARAB9AKMT2ACTSL | |
| SCHEMBL4402251 | 0.80 | ESR2 (0.56) | CES2CES1ESR2ESR1KMT2A | |
| SCHEMBL862271 | 0.79 | ALDH1A1 (0.45) | CES2CES1ALDH1A1HPGDGFER | |
| SCHEMBL21495291 | 0.77 | CYP3A4 (0.35) | ALDH1A1HPGDGFERLMNAESR2 | |
| SCHEMBL21495292 | 0.77 | CYP3A4 (0.35) | ALDH1A1HPGDGFERLMNAESR2 | |
| SCHEMBL4401213 | 0.73 | ESR1 (0.41) | ESR2ESR1 | |
| SCHEMBL17697018 | 0.73 | MAPT (0.52) | ALDH1A1HPGDGFERSMN1; SMN2NPC1 | |
| SCHEMBL14045950 | 0.73 | ALDH1A1 (0.56) | ALDH1A1HPGDSMN1; SMN2KMT2AATM | |
| SCHEMBL21204233 | 0.73 | HPGD (0.47) | ALDH1A1HPGDLMNAHTTNPC1 | |
| SCHEMBL13983659 | 0.73 | CYP3A4 (0.43) | CES2CES1HPGDGFERLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7659540-B2 | Materials for electroluminescence and the utilization thereof | MERCK PATENT GMBH (DE) | 2010-02-09 | — | — | US | disclosed |
| US-20070080343-A1 | New materials for electroluminescence and the utilization thereof | MERCK PATENT GMBH (DE) | 2007-04-12 | — | — | US | disclosed |