Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.45 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7510038 | 0.85 | SMPD1 (0.46) | SMPD1ADORA3ADORA2AALDH1A1ADORA1 | |
| SCHEMBL185760 | 0.78 | ALDH1A1 (0.39) | KMT2AALDH1A1MAPTLMNAPOLB | |
| SCHEMBL5888245 | 0.78 | SMPD1 (0.57) | SMPD1KDM5AKDM4CKDM5BPTGS2 | |
| SCHEMBL17200012 | 0.74 | PPARA (0.41) | ALDH1A1ADORA2BMAPTSMN1; SMN2POLB | |
| SCHEMBL17200005 | 0.73 | EPHX2 (0.36) | KMT2AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL5888236 | 0.72 | SMPD1 (0.58) | SMPD1KMT2AADORA3ADORA2AALDH1A1 | |
| SCHEMBL3723489 | 0.71 | HCAR2 (0.52) | KMT2AALDH1A1SMN1; SMN2LMNAPOLB | |
| SCHEMBL22961451 | 0.71 | CHRM2 (0.49) | SMPD1ALDH1A1TP53MAPTSMN1; SMN2 | |
| SCHEMBL5887797 | 0.70 | SMPD1 (0.46) | SMPD1ALDH1A1MAPTLMNAHTT | |
| SCHEMBL12334449 | 0.70 | SMPD1 (0.63) | SMPD1KMT2AALDH1A1TP53GAA |
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-1214316-A1 | FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES | CLARIANT INTERNATIONAL LTD. (CH) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016131-A2 | FIVE MEMBERED-RING COMPOUNDS AND UTILIZATION THEREOF IN LIQUID CRYSTAL MIXTURES | CLARIANT INTERNATIONAL LTD (CH) | 2001-03-08 | — | — | WO | disclosed |