Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.40 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 3/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | SIRT2 | Q8IXJ6 | 3/20 | 0.37 |
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.37 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HLCS | P50747 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9800093 | 0.98 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL450579 | 0.97 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL18527023 | 0.97 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL7717336 | 0.95 | CYP1A2 (0.42) | ALDH1A1L3MBTL1CYP1A2BACE1SIRT2 | |
| SCHEMBL3499721 | 0.93 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL1423906 | 0.93 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL10729075 | 0.87 | SIRT2 (0.43) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL6444135 | 0.86 | NOS1 (0.37) | ALDH1A1L3MBTL1BACE1KMT2A | |
| SCHEMBL3503763 | 0.86 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 | |
| SCHEMBL5175881 | 0.84 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1S1PR2S1PR4S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4943633-A | Catalytic preparation of cyanoalkyl lactams | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-07-24 | — | — | US | disclosed |
| EP-0347757-A2 | Catalytic preparation of cyanoalkyl lactams | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-12-27 | — | — | EP | disclosed |