Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 6/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4972478 | 0.83 | TRPA1 (0.41) | IDO1LMNATRPA1CHRM1SLC6A2 | |
| SCHEMBL12327881 | 0.81 | SMN1; SMN2 (0.47) | IDO1KMT2AMEN1SMN1; SMN2MAPT | |
| SCHEMBL11211267 | 0.79 | CYP3A4 (0.50) | IDO1LMNATRPA1CHRM1SLC6A2 | |
| SCHEMBL14838625 | 0.78 | IDO1 (0.41) | IDO1LMNAKMT2AHTTKDM4E | |
| SCHEMBL10249397 | 0.78 | HDAC6 (0.50) | IDO1SLC6A2SMN1; SMN2MAPTGAA | |
| SCHEMBL14515399 | 0.77 | HTT (0.58) | IDO1LMNAKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL5271027 | 0.76 | KMT2A (0.46) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| SCHEMBL6130191 | 0.75 | LMNA (0.50) | IDO1LMNATRPA1CHRM1SLC6A2 | |
| SCHEMBL4229470 | 0.75 | IDO1 (0.62) | IDO1LMNAKMT2AMEN1MAPT | |
| SCHEMBL1341810 | 0.74 | TDP1 (0.43) | IDO1SMN1; SMN2MAPTGAAHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2751115-B1 | (THIENO[2,3-b][1,5]BENZOXAZEPIN-4-YL)PIPERAZIN-1-YL COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS | LILLY CO ELI (US) | 2017-09-20 | — | — | EP | disclosed |