Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | TGM1 | P22735 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4874190 | 0.72 | SMN1; SMN2 (0.38) | ALDH1A1LMNAMAPK1TSHRTDP1 | |
| SCHEMBL4790214 | 0.72 | METAP2 (0.36) | ALDH1A1LMNAF13A1TGM2TGM1 | |
| SCHEMBL2529528 | 0.69 | ALDH1A1 (0.38) | ALDH1A1TSHRF13A1TGM2TGM1 | |
| SCHEMBL4651960 | 0.69 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPK1CYP3A4TSHR | |
| SCHEMBL3081849 | 0.67 | HCAR2 (0.47) | ALDH1A1LMNAMAPK1TSHRTDP1 | |
| SCHEMBL4699372 | 0.65 | MAPT (0.36) | ALDH1A1LMNACYP3A4TSHRTDP1 | |
| SCHEMBL2527725 | 0.65 | MAPT (0.40) | ALDH1A1LMNAMAPK1CYP3A4TSHR | |
| SCHEMBL2531116 | 0.64 | KMT2A (0.38) | ALDH1A1LMNATSHRTDP1L3MBTL1 | |
| SCHEMBL4756433 | 0.64 | KDM4E (0.42) | ALDH1A1MAPK1CYP3A4TSHRTDP1 | |
| SCHEMBL2526958 | 0.64 | ALDH1A1 (0.41) | ALDH1A1TSHRTDP1L3MBTL1MAPT |
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-1968954-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | Novartis AG (CH) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007077004-A1 | MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2007-07-12 | — | — | WO | disclosed |