Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.43 |
| ▸ | PROKR1 | Q8TCW9 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD5 | P21918 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL19371919 | 0.83 | NPC1 (0.44) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL3312540 | 0.82 | ALDH1A1 (0.62) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL2552810 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDLMNAPOLB | |
| SCHEMBL1995415 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL3737773 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL23854774 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDLMNAPOLB | |
| SCHEMBL4099888 | 0.81 | RAB9A (0.57) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL9509660 | 0.81 | PROKR1 (0.60) | ALDH1A1MAPTHPGDNPC1RAB9A | |
| SCHEMBL1934440 | 0.80 | PDE4B (0.50) | ALDH1A1MAPTHPGDLMNAHIF1A | |
| SCHEMBL187297 | 0.79 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDNPC1RAB9A |
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-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010020556-A1 | NEW BRADYKININ B1 ANTAGONISTS | EVOTEC NEUROSCIENCES GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |