Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | EDNRA | P25101 | 2/20 | 0.43 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | EDNRB | P24530 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL532980 | 0.89 | JAK2 (0.48) | ALDH1A1KMT2AGAAMAPTGFER | |
| SCHEMBL532939 | 0.85 | EDNRA (0.43) | ALDH1A1KMT2AGAAMAPTGFER | |
| SCHEMBL534052 | 0.85 | MEN1 (0.47) | ALDH1A1KMT2AGAAMAPTEDNRA | |
| SCHEMBL532999 | 0.85 | TP53 (0.48) | ALDH1A1KMT2ATP53BRD4 | |
| SCHEMBL14288636 | 0.84 | SMN1; SMN2 (0.53) | ALDH1A1KMT2AGAAMAPTTDP1 | |
| SCHEMBL533083 | 0.83 | EDNRA (0.46) | ALDH1A1MAPTEDNRAEDNRBJAK2 | |
| SCHEMBL533550 | 0.83 | HCRTR1 (0.47) | KMT2AMAPTTP53EDNRAEDNRB | |
| SCHEMBL533512 | 0.82 | SLC22A12 (0.44) | ALDH1A1KMT2AMAPTTDP1RAB9A | |
| SCHEMBL532998 | 0.82 | JAK2 (0.37) | ALDH1A1KMT2AGAAMAPTGFER | |
| SCHEMBL532776 | 0.82 | FFAR4 (0.54) | ALDH1A1KMT2AGAAMAPTTDP1 |
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 |