Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6540719 | 0.77 | ADRB2 (0.45) | ALDH1A1HDAC6HDAC8OPRM1OPRL1 | |
| Trifluoroacetic Acid SCHEMBL1191360 | 0.73 | HDAC3 (0.60) | CES1HDAC3HDAC1ALDH1A1HDAC2 | |
| SCHEMBL4765237 | 0.72 | RIPK1 (0.61) | CES1HDAC3HDAC1ALDH1A1MAPT | |
| SCHEMBL30471275 | 0.72 | RIPK1 (0.61) | CES1HDAC3HDAC1ALDH1A1MAPT | |
| SCHEMBL5567146 | 0.71 | NPFFR1 (0.48) | ALDH1A1OPRM1CYP1A2CYP2D6TSHR | |
| SCHEMBL5076829 | 0.70 | SSTR4 (0.44) | HDAC1ALDH1A1MAPTHDAC6MEN1 | |
| SCHEMBL19585998 | 0.69 | MEN1 (0.50) | ALDH1A1MAPTHDAC6HDAC8MEN1 | |
| SCHEMBL16057380 | 0.68 | HTT (0.43) | CES1HDAC3HDAC1ALDH1A1HDAC2 | |
| Trifluoroacetic Acid SCHEMBL30364352 | 0.68 | HDAC3 (0.51) | CES1HDAC3HDAC1ALDH1A1HDAC2 | |
| SCHEMBL5942178 | 0.68 | NPC1 (0.42) | HDAC1ALDH1A1MAPTHDAC6KMT2A |
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-2009151069-A1 | IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIRO[2.5]OCTANE RING STRUCTURE | 第一三共株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |