Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.37 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 3/20 | 0.33 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | MMP9 | P14780 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7522625 | 0.92 | ALDH1A1 (0.51) | ALDH1A1LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL7524123 | 0.86 | ALDH1A1 (0.50) | ALDH1A1LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL7523632 | 0.85 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL12174371 | 0.84 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2NPSR1KDM4E | |
| SCHEMBL10120708 | 0.83 | ALDH1A1 (0.52) | ALDH1A1LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL7517307 | 0.80 | BACE1 (0.41) | NPSR1BACE1CTSDOPRL1 | |
| SCHEMBL7521633 | 0.80 | BACE1 (0.39) | ALDH1A1LMNASMN1; SMN2BACE1CTSD | |
| SCHEMBL7511536 | 0.79 | BACE1 (0.41) | NPSR1BACE1CTSDOPRL1 | |
| SCHEMBL8182231 | 0.79 | ALDH1A1 (0.51) | ALDH1A1LMNASMN1; SMN2KDM4EKMT2A | |
| SCHEMBL12504738 | 0.79 | KDM1A (0.39) | ALDH1A1LMNASMN1; SMN2BACE1CTSD |
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-8178513-B2 | Heterocyclic aspartyl protease inhibitors | SCHERING CORPORATION (US) | 2012-05-15 | — | — | US | disclosed |