Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BLK | P51451 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10194914 | 0.87 | ALDH1A1 (0.43) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10192946 | 0.87 | BACE1 (0.42) | — | |
| SCHEMBL10194907 | 0.86 | SMN1; SMN2 (0.38) | ALDH1A1NPC1RAB9AMAPTACKR3 | |
| SCHEMBL10193944 | 0.77 | KDM4E (0.43) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10193263 | 0.74 | ALDH1A1 (0.48) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10193577 | 0.74 | RAB9A (0.38) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| SCHEMBL10193848 | 0.74 | BACE1 (0.43) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10193028 | 0.73 | BACE1 (0.44) | ALDH1A1KDM4ENPC1RAB9AHPGD | |
| SCHEMBL10192941 | 0.73 | BACE1 (0.44) | — | |
| SCHEMBL10193707 | 0.73 | PDE4D (0.42) | ALDH1A1KDM4ENPC1RAB9AHPGD |
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 |