Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SHMT1 | P34896 | 2/20 | 0.46 |
| ▸ | SHMT2 | P34897 | 2/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | EIF4E | P06730 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5869530 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TP53LMNAHTTKDM4E | |
| SCHEMBL5870353 | 1.00 | ALDH1A1 (0.52) | ALDH1A1TP53LMNAHTTKDM4E | |
| SCHEMBL8436111 | 0.90 | ALDH1A1 (0.48) | ALDH1A1TP53LMNAHTTKDM4E | |
| SCHEMBL21560199 | 0.87 | SHMT1 (0.58) | ALDH1A1TP53LMNAHTTKDM4E | |
| SCHEMBL21560102 | 0.87 | SHMT1 (0.58) | ALDH1A1TP53LMNAHTTKDM4E | |
| SCHEMBL8249164 | 0.85 | KDM4E (0.50) | ALDH1A1LMNAHTTKDM4ESHMT1 | |
| SCHEMBL1690993 | 0.85 | KDM4E (0.50) | ALDH1A1LMNAHTTKDM4ESHMT1 | |
| SCHEMBL5869680 | 0.81 | CTSK (0.43) | ALDH1A1LMNAKDM4ESHMT1SHMT2 | |
| SCHEMBL8248710 | 0.81 | CTSK (0.43) | ALDH1A1LMNAKDM4ESHMT1SHMT2 | |
| SCHEMBL5869890 | 0.80 | SHMT1 (0.45) | TP53LMNAKDM4ESHMT1SHMT2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7045532-B2 | ACE-2 modulating compounds and methods of use thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-05-16 | — | — | US | disclosed |