Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 8/20 | 0.47 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CCKBR | P32239 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL533942 | 0.85 | L3MBTL1 (0.48) | ALDH1A1L3MBTL1MEN1TSHRKMT2A | |
| SCHEMBL534052 | 0.82 | MEN1 (0.47) | ALDH1A1L3MBTL1MEN1TSHRKMT2A | |
| SCHEMBL533043 | 0.82 | ALDH1A1 (0.43) | ALDH1A1MEN1KMT2ALMNATP53 | |
| SCHEMBL532999 | 0.79 | TP53 (0.48) | ALDH1A1MEN1KMT2AHCRTR1TP53 | |
| SCHEMBL533091 | 0.78 | BRPF1 (0.52) | ALDH1A1MEN1KMT2ALMNATP53 | |
| SCHEMBL532951 | 0.78 | EDNRB (0.45) | ALDH1A1L3MBTL1MEN1KMT2ALMNA | |
| SCHEMBL533247 | 0.76 | CNR2 (0.39) | KMT2AERAP1TP53POLBMAPT | |
| SCHEMBL532980 | 0.76 | JAK2 (0.48) | ALDH1A1L3MBTL1MEN1TSHRKMT2A | |
| SCHEMBL533656 | 0.76 | ACLY (0.39) | L3MBTL1KMT2ALMNAPOLBMAPT | |
| SCHEMBL532038 | 0.75 | ALDH1A1 (0.54) | ALDH1A1TSHRKMT2ALMNATP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2415760-A2 | CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |
| US-7319111-B2 | Phenylenediamine Urotensin-II receptor antagonists and CCR-9 antagonists | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-01-15 | — | — | US | disclosed |