Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.46 |
| ▸ | TYK2 | P29597 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.41 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.41 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7931237 | 0.81 | CES2 (0.56) | MAPK1KMT2ACES2CES1RECQL | |
| SCHEMBL1643574 | 0.81 | RECQL (0.55) | CYP11B2JAK2TYK2MAPK1KMT2A | |
| SCHEMBL50416 | 0.76 | CES2 (0.71) | KMT2ACES2CES1RECQLPOLB | |
| SCHEMBL29399311 | 0.76 | CES2 (0.71) | KMT2ACES2CES1RECQLPOLB | |
| SCHEMBL4707061 | 0.75 | KMT2A (0.46) | CYP11B2JAK2TYK2MAPK1KMT2A | |
| SCHEMBL4705504 | 0.75 | KMT2A (0.47) | CYP11B2JAK2TYK2MAPK1KMT2A | |
| SCHEMBL3444846 | 0.74 | CES2 (0.68) | KMT2ACES2CES1RECQLPOLB | |
| SCHEMBL28752271 | 0.74 | KMT2A (0.59) | JAK2TYK2MAPK1KMT2ACES2 | |
| SCHEMBL28254088 | 0.74 | NPC1 (0.51) | CYP11B2JAK2TYK2MAPK1KMT2A | |
| SCHEMBL2901555 | 0.73 | RORB (0.55) | CYP11B2KMT2ACES2CES1VNN1 |
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 |