Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | REN | P00797 | 3/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSB | P07858 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL14402446 | 0.98 | ALDH1A1 (0.43) | ALDH1A1KMT2ACYP1A2METAP2REN | |
| SCHEMBL6986344 | 0.98 | ALDH1A1 (0.43) | ALDH1A1KMT2ACYP1A2METAP2REN | |
| SCHEMBL13849949 | 0.95 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP1A2METAP2REN | |
| SCHEMBL14402433 | 0.95 | ALDH1A1 (0.38) | ALDH1A1KMT2ACYP1A2METAP2REN | |
| SCHEMBL14327356 | 0.91 | — | — | |
| SCHEMBL6866119 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KMT2ACYP1A2METAP2REN | |
| SCHEMBL15178071 | 0.83 | KMT2A (0.33) | ALDH1A1KMT2ALMNAIDO1TDO2 | |
| SCHEMBL24108682 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2ACYP1A2METAP2 | |
| SCHEMBL8829754 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2ACYP1A2METAP2 | |
| SCHEMBL21409652 | 0.81 | SHBG (0.37) | ALDH1A1KMT2ACYP1A2METAP2REN |
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-1268434-A1 | CYCLIC LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION | Bristol-Myers Squibb Pharma Company (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001074784-A1 | CYCLIC LACTAMS AS INHIBITORS OF A-β PROTEIN PRODUCTION | DUPONT PHARMACEUTICALS COMPANY (US) | 2001-10-11 | — | — | WO | disclosed |