Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL10592370 | 0.84 | HDAC2 (0.61) | CA12CA1CA2CA9HTT | |
| SCHEMBL16672131 | 0.84 | NPC1 (0.55) | HTTLMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24405103 | 0.81 | ALDH1A1 (0.53) | CASP1LMNASMN1; SMN2NPC1RAB9A | |
| SCHEMBL27700793 | 0.81 | CA12 (0.54) | CA12CA1CA2CA9HTT | |
| SCHEMBL21848124 | 0.81 | LMNA (0.60) | CA12CA1CA2CA9HTT | |
| SCHEMBL6179935 | 0.79 | CA12 (0.51) | CA12CA1CA2CA9HTT | |
| SCHEMBL4425698 | 0.78 | HTT (0.60) | CA12CA1CA2CA9HTT | |
| SCHEMBL8705488 | 0.78 | ALDH1A1 (0.45) | LMNASMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL11059917 | 0.77 | LTA4H (0.56) | CA12CA1CA2CA9HTT | |
| SCHEMBL4779681 | 0.77 | HDAC1 (0.63) | CA12CA1CA2CA9HTT |
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-0802916-A1 | LOW MOLECULAR WEIGHT BICYCLIC THROMBIN INHIBITORS | BIOCHEM PHARMA INC (CA) | 1997-10-29 | — | — | EP | disclosed |