Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 1/20 | 0.42 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.39 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | SLC16A1 | P53985 | 1/20 | 0.39 |
| ▸ | MCTS1 | Q9ULC4 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.38 |
| ▸ | KDM5A | P29375 | 1/20 | 0.38 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.38 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4704941 | 0.94 | RORB (0.40) | RORBHSD17B13CHRM5SLC16A3SLC16A1 | |
| SCHEMBL4706684 | 0.92 | RORB (0.41) | RORBHSD17B13CHRM5SLC16A3SLC16A1 | |
| SCHEMBL27538912 | 0.88 | RORB (0.44) | RORBIDH1RORCVNN1 | |
| SCHEMBL4706958 | 0.86 | RORB (0.42) | RORBHSD17B13KCNH2SLC16A3SLC16A1 | |
| SCHEMBL4706229 | 0.85 | IDH1 (0.44) | RORBIDH1RORCVNN1 | |
| SCHEMBL4705528 | 0.84 | RORB (0.43) | RORBIDH1RORCVNN1 | |
| SCHEMBL4707264 | 0.84 | RORB (0.49) | RORBIDH1VNN1 | |
| SCHEMBL4706981 | 0.82 | IDH1 (0.42) | RORBIDH1RORCVNN1 | |
| SCHEMBL4709776 | 0.82 | RORB (0.45) | RORBIDH1VNN1 | |
| SCHEMBL4705879 | 0.82 | RORB (0.42) | RORBIDH1RORC |
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-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 |