Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | LMNA | P02545 | 5/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.36 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9131501 | 0.87 | LMNA (0.42) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL10594824 | 0.83 | FOLH1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2ADRB2 | |
| SCHEMBL6445870 | 0.83 | LMNA (0.43) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL1074538 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1ADRB2CYP3A4 | |
| SCHEMBL19291183 | 0.82 | PTPN1 (0.50) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL5609826 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL7071110 | 0.82 | FOLH1 (0.66) | ALDH1A1FOLH1SMN1; SMN2KDM4EHTT | |
| SCHEMBL2125820 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL30628269 | 0.82 | ALDH1A1 (0.47) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E | |
| SCHEMBL9331010 | 0.80 | HMGB1 (0.53) | ALDH1A1LMNAFOLH1SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007117180-A1 | AZAHETEROCYCLES, COMBINATORY LIBRARY, FOCUSED LIBRARY, PHARMACEUTICAL COMPOSITION AND METHODS FOR THE PRODUCTION THEREOF | 'CHEMICAL DIVERSITY RESEARCH INSTITUTE' LTD. (RU) | 2007-10-18 | — | — | WO | disclosed |