Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.40 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.40 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9999688 | 0.85 | ENPP2 (0.54) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL11576495 | 0.83 | TSHR (0.52) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL4430768 | 0.83 | TSHR (0.59) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL28775338 | 0.80 | ENPP2 (0.50) | ENPP2IDH1CYP11B1CYP11B2KMT2A | |
| SCHEMBL123838 | 0.78 | TSHR (0.61) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL12782166 | 0.76 | IDH1 (0.42) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL12002732 | 0.76 | IDH1 (0.42) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL3140122 | 0.76 | PRKCI (0.61) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL27299642 | 0.76 | SLC5A2 (0.49) | ENPP2PRSS1PRSS2PRSS3TSHR | |
| SCHEMBL2414844 | 0.76 | TAAR1 (0.47) | DAOMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5763469-A | Substituted cyclic ureas and derivatives thereof useful as retroviral protease inhibitors | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-06-09 | — | — | US | disclosed |