Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CCR1 | P32246 | 12/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.45 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.45 |
| ▸ | LIPE | Q05469 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18086474 | 1.00 | NPC1 (0.52) | NPC1TP53TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL19954317 | 0.90 | KCNH2 (0.52) | NPC1TP53RAB9ASMN1; SMN2CCR1 | |
| SCHEMBL19954277 | 0.90 | KCNH2 (0.52) | NPC1TP53RAB9ASMN1; SMN2CCR1 | |
| SCHEMBL16311052 | 0.87 | DPP4 (0.45) | CCR1KCNH2HRH3NAMPTDPP4 | |
| SCHEMBL14400988 | 0.80 | ACHE (0.55) | DPP4 | |
| SCHEMBL4905787 | 0.80 | DGAT1 (0.45) | NPC1CCR1KCNH2HRH3DPP4 | |
| SCHEMBL19187763 | 0.79 | NAMPT (0.59) | NPC1TP53TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL15045186 | 0.77 | KCNH2 (0.61) | CCR1KCNH2HRH3NAMPTLIPE | |
| SCHEMBL12615130 | 0.77 | CHRM3 (0.53) | DPP4 | |
| SCHEMBL2636630 | 0.77 | RAB9A (0.57) | NPC1TP53TSHRRAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3008045-B1 | ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS | ANTABIO SAS (FR) | 2018-05-09 | — | — | EP | disclosed |