Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | ACR | P10323 | 4/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.35 |
| ▸ | HGFAC | Q04756 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9841546 | 0.88 | MAPT (0.39) | ALDH1A1MAPTSMN1; SMN2LMNACYP2C9 | |
| SCHEMBL9842046 | 0.85 | MAPT (0.37) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9841478 | 0.84 | CYP2C9 (0.42) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9841791 | 0.82 | NPC1 (0.43) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| Fluoride SCHEMBL9841919 | 0.82 | SMN1; SMN2 (0.42) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9841683 | 0.82 | CYP2C9 (0.55) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9841455 | 0.82 | NPC1 (0.44) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9841499 | 0.82 | NPC1 (0.44) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9842009 | 0.82 | NPC1 (0.44) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 | |
| SCHEMBL9842083 | 0.81 | CYP2C9 (0.47) | ALDH1A1MAPTSMN1; SMN2LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5055223-A | For use in liquid crystal display elements | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-10-08 | — | — | US | disclosed |