Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CES2 | O00748 | 3/20 | 0.48 |
| ▸ | CES1 | P23141 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.44 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4400945 | 1.00 | ESR2 (0.50) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL13475309 | 0.93 | ESR2 (0.45) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL4919578 | 0.78 | ESR2 (0.50) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL15115944 | 0.78 | ALDH1A1 (0.48) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL11961836 | 0.76 | ALDH1A1 (0.46) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL11947946 | 0.76 | ALDH1A1 (0.46) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL18290561 | 0.75 | MEN1 (0.49) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL862271 | 0.74 | ALDH1A1 (0.45) | ESR2ALDH1A1CES2CES1LMNA | |
| SCHEMBL25914317 | 0.74 | CYP2D6 (0.55) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL11205432 | 0.72 | CES2 (0.58) | ESR2ALDH1A1CES2CES1LMNA |
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 |