Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | MAOA | P21397 | 3/20 | 0.44 |
| ▸ | COMT | P21964 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4749788 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAOACOMTMAPTLMNA | |
| SCHEMBL1619231 | 0.80 | MAPT (0.42) | ALDH1A1MAOACOMTMAPTLMNA | |
| SCHEMBL25190822 | 0.73 | P4HB (0.62) | MAOAMAPTMAOBMEN1KMT2A | |
| SCHEMBL25206648 | 0.70 | ABCG2 (0.67) | ALDH1A1MAOAMAPTLMNAHSP90AA1 | |
| SCHEMBL4753149 | 0.70 | MEN1 (0.44) | ALDH1A1MAPTLMNACETPSMN1; SMN2 | |
| SCHEMBL9190260 | 0.66 | TSHR (0.50) | ALDH1A1MAPTLMNAHSP90AA1CETP | |
| SCHEMBL896842 | 0.66 | PIM1 (0.56) | ALDH1A1MAOAMAPTMAOBPIM1 | |
| SCHEMBL28269250 | 0.65 | CYP1B1 (0.51) | ALDH1A1MAOACOMTMAPTLMNA | |
| SCHEMBL25192708 | 0.65 | SLC5A1 (0.54) | ALDH1A1MAOACOMTMAPTMAOB | |
| SCHEMBL25265254 | 0.65 | SLC5A1 (0.54) | ALDH1A1MAOACOMTMAPTMAOB |
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-7928238-B2 | 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors | JANSSEN PHARMACEUTICA NV (BE) | 2011-04-19 | — | — | US | disclosed |