Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | BRD2 | P25440 | 1/20 | 0.48 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11165761 | 0.86 | ALDH1A1 (0.54) | ALDH1A1TSHRNPSR1KMT2ANPC1 | |
| SCHEMBL4468528 | 0.85 | TSHR (0.67) | ALDH1A1TSHRKMT2APOLBKDM4E | |
| SCHEMBL6206499 | 0.80 | CNR1 (0.52) | ALDH1A1TSHRNPSR1KMT2AKDM4E | |
| SCHEMBL1150847 | 0.80 | TSHR (0.75) | ALDH1A1TSHRNPSR1KMT2ANPC1 | |
| SCHEMBL23088183 | 0.77 | ALDH1A1 (0.80) | ALDH1A1TSHRNPSR1KMT2APOLB | |
| SCHEMBL3345913 | 0.76 | PKM (0.61) | ALDH1A1TSHRKMT2AKDM4ELMNA | |
| SCHEMBL20387483 | 0.76 | NPC1 (0.70) | ALDH1A1TSHRNPSR1KMT2ANPC1 | |
| SCHEMBL3408351 | 0.76 | PKM (0.54) | ALDH1A1TSHRKMT2AKDM4ELMNA | |
| SCHEMBL29483582 | 0.76 | NPC1 (0.70) | ALDH1A1TSHRNPSR1KMT2ANPC1 | |
| SCHEMBL15120570 | 0.75 | KMT2A (0.81) | ALDH1A1TSHRNPSR1KMT2ANPC1 |
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-100572375-C | Spiro-benzene and dioxole and as the application of CB1 antagonist | HOFFMANN LA ROCHE (CH) | 2009-12-23 | — | — | CN | disclosed |
| CN-1914189-A | Spiro-benzodioxoles and their use as CB1 antagonists | HOFFMANN LA ROCHE (CH) | 2007-02-14 | — | — | CN | disclosed |
| EP-1716132-A2 | SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005075450-A2 | SPIRO-BENZODIOXOLES AND THEIR USE AS CB1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-08-18 | — | — | WO | disclosed |