Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21162500 | 0.81 | CYP1A1 (0.47) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL16170090 | 0.77 | CYP1A1 (0.43) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL11323718 | 0.77 | AMY1A (0.47) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL6546420 | 0.77 | AMY1A (0.47) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL13816225 | 0.77 | TSHR (0.43) | LMNAMAPTMEN1KMT2AKDM4E | |
| SCHEMBL14303656 | 0.76 | CYP1A1 (0.55) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL2865211 | 0.76 | CYP1A1 (0.55) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL31356822 | 0.76 | CYP1A1 (0.55) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL584565 | 0.76 | CYP1A1 (0.55) | CYP1A1CYP1B1TDP1LMNAMAPT | |
| SCHEMBL584566 | 0.76 | CYP1A1 (0.55) | CYP1A1CYP1B1TDP1LMNAMAPT |
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-2012036253-A1 | HETEROCYCLIC COMPOUNDS FOR TREATING OR PREVENTING DISORDERS CAUSED BY REDUCED NEUROTRANSMISSION OF SEROTONIN, NOREPHNEPHRINE OR DOPAMINE. | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-22 | — | — | WO | disclosed |