Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.42 |
| ▸ | WNT3A | P56704 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29060616 | 0.82 | GAA (0.47) | SMN1; SMN2KDM4EHPGDCYP1A2ALDH1A1 | |
| SCHEMBL6283202 | 0.81 | MMP1 (0.67) | SMN1; SMN2KDM4EHPGDCYP1A2ALDH1A1 | |
| SCHEMBL15988692 | 0.80 | ALDH1A1 (0.53) | KDM4EHPGDCYP1A2ALDH1A1CYP2C19 | |
| SCHEMBL1038708 | 0.79 | HSD17B3 (0.50) | SMN1; SMN2KDM4EGAAHDAC1HDAC8 | |
| SCHEMBL10301540 | 0.78 | KDM4E (0.47) | SMN1; SMN2KDM4EHPGDALDH1A1CYP2C19 | |
| SCHEMBL22625046 | 0.78 | KDM4E (0.44) | SMN1; SMN2KDM4EHPGDCYP1A2ALDH1A1 | |
| SCHEMBL5838889 | 0.78 | KDM4E (0.50) | SMN1; SMN2KDM4EALDH1A1GAAHDAC3 | |
| SCHEMBL846394 | 0.78 | KMT2A (0.58) | SMN1; SMN2KDM4EALDH1A1GAAABCG2 | |
| SCHEMBL6284559 | 0.77 | TPMT (0.47) | SMN1; SMN2KDM4EHPGDALDH1A1CYP2C19 | |
| SCHEMBL5279741 | 0.77 | PDE4B (0.63) | SMN1; SMN2KDM4EHPGDCYP1A2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991002731-A1 | SUBSTITUTED N-HETEROCYCLES, THEIR PREPARATION AND THEIR USE | BOEHRINGER INGELHEIM KG (DE) | 1991-03-07 | — | — | WO | disclosed |