Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL5370893 | 0.85 | CYP3A4 (0.53) | CYP3A4MEN1NR1I2LMNACHRM2 | |
| SCHEMBL7556158 | 0.83 | RAD52 (0.39) | MAPTHDAC6PARP1ALDH1A1RPS6KB1 | |
| SCHEMBL6203169 | 0.83 | PARP1 (0.49) | MAPTTSHRPARP1L3MBTL1ALDH1A1 | |
| SCHEMBL6535320 | 0.83 | LMNA (0.55) | CYP3A4MEN1NR1I2LMNACHRM2 | |
| SCHEMBL28371050 | 0.83 | LMNA (0.55) | CYP3A4MEN1NR1I2LMNACHRM2 | |
| SCHEMBL27405674 | 0.83 | LMNA (0.55) | CYP3A4MEN1NR1I2LMNACHRM2 | |
| SCHEMBL28026181 | 0.82 | ALDH1A1 (0.38) | CYP3A4MEN1NR1I2LMNACHRM2 | |
| SCHEMBL14919189 | 0.82 | TSHR (0.43) | MEN1KMT2ATSHRL3MBTL1ALDH1A1 | |
| SCHEMBL6013405 | 0.80 | CXCR5 (0.51) | CYP3A4MEN1NR1I2LMNACHRM2 | |
| SCHEMBL2972655 | 0.80 | LMNA (0.50) | CYP3A4MEN1NR1I2LMNACHRM2 |
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-3781142-A1 | NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | Merck Sharp&Dohme Corp. (US) | 2021-02-24 | — | — | EP | claimed |
| WO-2019204180-A1 | NOVEL [1.1.1] BICYCLO COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2019-10-24 | — | — | WO | claimed |