Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.42 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21525011 | 0.85 | TAS1R3 (0.52) | TAS1R3TAS1R1CA2CA1NPC1 | |
| SCHEMBL21525010 | 0.85 | TAS1R3 (0.52) | TAS1R3TAS1R1CA2CA1NPC1 | |
| SCHEMBL1761476 | 0.81 | TAS1R3 (0.59) | TAS1R3TAS1R1CA2CA1NPC1 | |
| SCHEMBL853579 | 0.79 | MLYCD (0.59) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL11142684 | 0.79 | CA2 (0.68) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL21525009 | 0.79 | CA2 (0.68) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL7439837 | 0.79 | HPGDS (0.59) | TAS1R3TAS1R1CA2CA1NPC1 | |
| SCHEMBL19939535 | 0.74 | NPC1 (0.50) | CA2CA1NPC1RAB9ASCN1A | |
| SCHEMBL16234882 | 0.74 | RAB9A (0.57) | CA2CA1NPC1RAB9ANPSR1 | |
| SCHEMBL5940593 | 0.73 | NPC1 (0.55) | CA2CA1NPC1RAB9AMLYCD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018041985-A1 | CHEMOSELECTIVE THIOL-CONJUGATION WITH ALKENE OR ALKYNE-PHOSPHONAMIDATES | FORSCHUNGSVERBUND BERLIN E.V. (DE) | 2018-03-08 | — | — | WO | disclosed |