Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TOP2A | P11388 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | PPID | Q08752 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | SIRT1 | Q96EB6 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7773271 | 0.99 | NPC1 (0.49) | NPC1RAB9AHTTLTA4HLMNA | |
| SCHEMBL7773331 | 0.91 | HTT (0.55) | NPC1RAB9AHTTLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7773347 | 0.90 | HTT (0.54) | NPC1RAB9AHTTLMNASMN1; SMN2 | |
| SCHEMBL6942130 | 0.88 | HTT (0.52) | NPC1RAB9AHTTLTA4HLMNA | |
| SCHEMBL3295121 | 0.87 | HTT (0.62) | NPC1RAB9AHTTLMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7775328 | 0.87 | HTT (0.51) | NPC1RAB9AHTTLTA4HLMNA | |
| SCHEMBL7345362 | 0.83 | HDAC3 (0.57) | NPC1RAB9AHTTLMNASMN1; SMN2 | |
| SCHEMBL7405576 | 0.83 | HTT (0.65) | NPC1RAB9AHTTLMNASMN1; SMN2 | |
| SCHEMBL962830 | 0.83 | CA1 (0.54) | NPC1RAB9AHTTLTA4HLMNA | |
| Glycolic Acid SCHEMBL27895348 | 0.82 | HTT (0.60) | NPC1RAB9AHTTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1121346-A1 | NEW PROCESSES FOR PRODUCING BETA-ALANINE DERIVATIVE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2001-08-08 | — | — | EP | disclosed |
| WO-2000021932-A1 | NEW PROCESSES FOR PRODUCING β-ALANINE DERIVATIVE | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-20 | — | — | WO | disclosed |