Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10925370 | 0.84 | ALDH1A1 (0.35) | TSHRALDH1A1 | |
| SCHEMBL8344987 | 0.81 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL9852747 | 0.70 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL29209620 | 0.69 | ALDH1A1 (0.35) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL1671160 | 0.67 | ALDH1A1 (0.44) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL30073299 | 0.67 | ALDH1A1 (0.44) | TSHRALDH1A1CYP2D6CYP2C19HIF1A | |
| SCHEMBL17094651 | 0.65 | ALDH1A1 (0.36) | TSHRALDH1A1 | |
| SCHEMBL23998526 | 0.62 | GAA (0.38) | TSHRALDH1A1 | |
| SCHEMBL15484348 | 0.61 | — | — | |
| SCHEMBL1566695 | 0.61 | ALDH1A1 (0.45) | TSHRALDH1A1CYP2D6CYP2C19HIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101575363-B | The synthetic method of Aplidine and new antitumoral derivatives and preparation and application thereof | PHARMA MAR, S. A. (ES) | 2016-01-27 | — | — | CN | disclosed |
| CN-104650177-A | Synthetic Methods For Aplidine And New Antitumoral Derivatives, Methods Of Making And Using Them | PHARMA MAR SA | 2015-05-27 | — | — | CN | disclosed |
| CN-101575363-A | Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them | PHARMA MAR SA (ES) | 2009-11-11 | — | — | CN | disclosed |
| CN-1449408-A | Synthetic methods for Aplidine and novel antitumor derivatives, and methods of making and using the same | PHARMA MAR SA (ES) | 2003-10-15 | — | — | CN | disclosed |