Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | FADS1 | O60427 | 1/20 | 0.41 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | CSF1R | P07333 | 1/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10195044 | 0.91 | SMN1; SMN2 (0.45) | BACE1ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL10193694 | 0.91 | SMN1; SMN2 (0.48) | BACE1ALDH1A1SMN1; SMN2MEN1LMNA | |
| SCHEMBL10193709 | 0.88 | SMN1; SMN2 (0.42) | BACE1ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL10193565 | 0.87 | ALDH1A1 (0.39) | BACE1ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL10194892 | 0.87 | AURKA (0.43) | ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E | |
| SCHEMBL10193017 | 0.86 | BACE1 (0.47) | BACE1GRM4AURKA | |
| SCHEMBL10193160 | 0.85 | BACE1 (0.48) | BACE1ALDH1A1SMN1; SMN2POLBMEN1 | |
| SCHEMBL10193271 | 0.82 | BACE1 (0.46) | BACE1ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL10193689 | 0.82 | KMT2A (0.42) | BACE1ALDH1A1SMN1; SMN2MEN1LMNA | |
| SCHEMBL10193227 | 0.80 | SMN1; SMN2 (0.51) | BACE1ALDH1A1SMN1; SMN2LMNANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2415756-A1 | ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | Shionogi&Co., Ltd. (JP) | 2012-02-08 | — | — | EP | disclosed |