Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18935315 | 0.94 | MEN1 (0.49) | CYP1A2ATMMEN1KMT2AALDH1A1 | |
| SCHEMBL18935411 | 0.92 | TDP1 (0.55) | TDP1CYP1A1CYP1A2CYP1B1ATM | |
| SCHEMBL18935318 | 0.91 | MEN1 (0.47) | CYP1A2ATMNPC1RAB9AMEN1 | |
| SCHEMBL18934970 | 0.90 | CSNK2A2 (0.42) | TDP1CYP1A1CYP1A2CYP1B1ATM | |
| SCHEMBL18935397 | 0.88 | MEN1 (0.50) | TDP1CYP1A2ATMNPSR1MEN1 | |
| SCHEMBL18935398 | 0.88 | MEN1 (0.50) | TDP1CYP1A2ATMNPSR1MEN1 | |
| SCHEMBL18935216 | 0.87 | MEN1 (0.48) | CYP1A1CYP1A2CYP1B1ATMNPC1 | |
| SCHEMBL18935407 | 0.85 | MEN1 (0.55) | TDP1ATMNPSR1MEN1KMT2A | |
| SCHEMBL18935409 | 0.85 | MEN1 (0.58) | TDP1ATMNPSR1MEN1KMT2A | |
| SCHEMBL18935399 | 0.85 | MEN1 (0.58) | TDP1ATMNPSR1MEN1KMT2A |
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-2017095100-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2017-06-08 | — | — | WO | disclosed |