Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | MAPK13 | O15264 | 3/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 3/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 3/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | IGFBP3 | P17936 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 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 | |
|---|---|---|---|---|
| SCHEMBL4707113 | 0.75 | CYP11B2 (0.47) | KMT2AMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL11110800 | 0.73 | MAOB (0.40) | KMT2AALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL30721176 | 0.72 | NTRK1 (0.33) | — | |
| SCHEMBL7931237 | 0.71 | CES2 (0.56) | KMT2ACES2CES1ALDH1A1RECQL | |
| SCHEMBL9956039 | 0.71 | NTRK1 (0.33) | — | |
| SCHEMBL24373638 | 0.71 | RECQL (0.50) | KMT2AMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL629032 | 0.70 | HCAR2 (0.44) | KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL30978924 | 0.70 | HCAR2 (0.44) | KMT2AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL4707490 | 0.70 | RORB (0.50) | KMT2ACES2CES1ALDH1A1VNN1 | |
| SCHEMBL50416 | 0.70 | CES2 (0.71) | KMT2AMAPK14CES2CES1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1501809-B1 | TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-01-16 | — | — | EP | disclosed |
| CN-1312136-C | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2007-04-25 | — | — | CN | disclosed |
| CN-1646502-A | Triazole derivatives as tachykinin receptor antagonists | LILLY CO ELI (US) | 2005-07-27 | — | — | CN | disclosed |