Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | SGK1 | O00141 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL532935 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPTRECQLSMN1; SMN2LMNA | |
| SCHEMBL533942 | 0.86 | L3MBTL1 (0.48) | ALDH1A1MAPTRECQLSMN1; SMN2LMNA | |
| SCHEMBL534052 | 0.83 | MEN1 (0.47) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL532953 | 0.83 | FFAR4 (0.59) | ALDH1A1MAPTFFAR4PKMSMN1; SMN2 | |
| SCHEMBL533018 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2LMNAMEN1 | |
| SCHEMBL14288678 | 0.80 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL533676 | 0.80 | ACLY (0.46) | ALDH1A1MAPTFFAR4SMN1; SMN2LMNA | |
| SCHEMBL532951 | 0.78 | EDNRB (0.45) | ALDH1A1MAPTFFAR4SMN1; SMN2LMNA | |
| SCHEMBL534062 | 0.78 | ERAP1 (0.52) | ALDH1A1RECQLSMN1; SMN2LMNAMEN1 | |
| SCHEMBL532936 | 0.78 | MCOLN3 (0.51) | ALDH1A1PKMSMN1; SMN2LMNAMEN1 |
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-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 |