Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 1/20 | 0.38 |
| ▸ | F3 | P13726 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4767533 | 0.89 | CES2 (0.45) | CES2ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL3846277 | 0.83 | ELANE (0.50) | CES2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL3846281 | 0.83 | ELANE (0.50) | CES2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL2209970 | 0.81 | F7 (0.49) | CES2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL2209964 | 0.81 | F7 (0.49) | CES2ALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL4770663 | 0.80 | MCHR1 (0.35) | ALDH1A1KDM4ELMNAMAPTRXFP1 | |
| SCHEMBL4777094 | 0.79 | CA12 (0.34) | LMNAMAPTTP53KMT2ANPC1 | |
| SCHEMBL2317459 | 0.79 | ELANE (0.56) | ELANEF7F3 | |
| SCHEMBL2317449 | 0.79 | ELANE (0.56) | ELANEF7F3 | |
| SCHEMBL2213292 | 0.77 | ELANE (0.54) | CES2ALDH1A1KDM4EELANE |
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-1902065-A2 | CYCLIC AMIDE DERIVATIVES INHIBITORS OF THE INHIBITOR OF APOPTOSIS PROTEINS, THEIR PREPARATION, AND THEIR USE | Novartis AG (CH) | 2008-03-26 | — | — | EP | claimed |
| WO-2006133147-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2006-12-14 | — | — | WO | claimed |