Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 3/20 | 0.31 |
| ▸ | NOS3 | P29474 | 2/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 6/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 6/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 6/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 6/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9534610 | 0.74 | ALDH1A1 (0.34) | ALDH1A1KDM4ENPSR1TSHRTP53 | |
| SCHEMBL27979835 | 0.67 | GAA (0.41) | ALDH1A1KDM4ENPSR1TSHRTP53 | |
| SCHEMBL10955537 | 0.64 | ALDH1A1 (0.42) | ALDH1A1KDM4ENPSR1TP53NPC1 | |
| SCHEMBL9534606 | 0.60 | ALDH1A1 (0.46) | ALDH1A1KDM4ENPSR1SMN1; SMN2USP2 | |
| SCHEMBL10958978 | 0.58 | GAA (0.39) | ALDH1A1KDM4ENPSR1TSHRSMN1; SMN2 | |
| SCHEMBL9141580 | 0.57 | — | — | |
| SCHEMBL18963354 | 0.57 | ALDH1A1 (0.43) | ALDH1A1KDM4ENPSR1TP53NPC1 | |
| SCHEMBL16136741 | 0.55 | CHRM5 (0.49) | ALDH1A1KDM4ENPSR1TSHRTP53 | |
| SCHEMBL18608234 | 0.55 | TDP1 (0.48) | ALDH1A1KDM4ENPSR1NPC1ALOX15 | |
| SCHEMBL27553768 | 0.55 | POLB (0.39) | ALDH1A1KDM4ENPSR1NPC1USP2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482448-B1 | DIMETHYLFURYL-DIHYDRO-1,3,5-DITHIAZINES, PROCESS FOR THEIR PREPARATION AND THEIR USE | HAARMANN & REIMER GMBH (DE) | 1993-04-21 | — | — | EP | disclosed |
| US-5166342-A | Flavors for coffee or mocha for beverages, candies or baked goods | HAARMANN & REIMER (DE) | 1992-11-24 | — | — | US | disclosed |
| EP-0482448-A1 | Dimethylfuryl-dihydro-1,3,5-dithiazines, process for their preparation and their use | HAARMANN & REIMER GMBH (DE) | 1992-04-29 | — | — | EP | disclosed |