Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.37 |
| ▸ | TPMT | P51580 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 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 | |
|---|---|---|---|---|
| SCHEMBL11779027 | 0.93 | CASP6 (0.41) | CASP6TPMTTDP1TP53HCAR3 | |
| SCHEMBL1097743 | 0.82 | TPMT (0.50) | TPMTTDP1TP53MEN1KMT2A | |
| SCHEMBL27530545 | 0.81 | LMNA (0.40) | CASP6TPMTTDP1TP53HCAR3 | |
| SCHEMBL27526996 | 0.81 | TPMT (0.38) | CASP6TPMTTDP1TP53HCAR3 | |
| SCHEMBL28743762 | 0.81 | TPMT (0.53) | CASP6TPMTTDP1TP53HCAR3 | |
| SCHEMBL28775876 | 0.81 | HCAR1 (0.47) | CASP6TDP1TP53HCAR3MEN1 | |
| SCHEMBL27721005 | 0.80 | TPMT (0.40) | TPMTTDP1TP53HCAR3MEN1 | |
| SCHEMBL8195390 | 0.79 | TP53 (0.51) | CASP6TDP1TP53MEN1KMT2A | |
| SCHEMBL7591412 | 0.79 | TP53 (0.51) | CASP6TDP1TP53MEN1KMT2A | |
| SCHEMBL1551997 | 0.78 | TPMT (0.50) | TPMTTDP1TP53MAPTTSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-101490018-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-07-22 | — | — | CN | disclosed |
| CN-101103008-A | Macrocyclic compounds useful as bace inhibitors | NOVARTIS AG (CH) | 2008-01-09 | — | — | CN | disclosed |