Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.44 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL740570 | 0.84 | ALDH1A1 (0.46) | DDB1CRBNSMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL741732 | 0.75 | ALDH1A1 (0.51) | DDB1CRBNCYP2C19ALDH1A1 | |
| SCHEMBL744238 | 0.75 | ALDH1A1 (0.43) | DDB1CRBNSMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL2542693 | 0.75 | DDB1 (0.54) | DDB1CRBNCYP2C19ALDH1A1 | |
| SCHEMBL24515547 | 0.74 | ALDH1A1 (0.45) | DDB1CRBNSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL29046642 | 0.74 | ALDH1A1 (0.45) | DDB1CRBNSMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL741795 | 0.74 | DDB1 (0.51) | DDB1CRBNSMN1; SMN2CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2805409 | 0.73 | DDB1 (0.52) | DDB1CRBNCYP2C19ALDH1A1 | |
| SCHEMBL24515276 | 0.73 | DDB1 (0.44) | DDB1CRBNSMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL24515948 | 0.73 | DDB1 (0.44) | DDB1CRBNSMN1; SMN2CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2431370-A1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2012-03-21 | — | — | EP | disclosed |
| US-7935824-B2 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2011-05-03 | — | — | US | disclosed |