Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALPG | P10696 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ANPEP | P15144 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL7581612 | 0.88 | ALPL (0.53) | NPC1RAB9AALPLPOLBALPG | |
| Bicarbonate SCHEMBL7573060 | 0.88 | ALPL (0.53) | NPC1RAB9AALPLPOLBALPG | |
| Oxalic Acid SCHEMBL1050393 | 0.86 | ALPL (0.52) | NPC1RAB9AALPLPOLBALPG | |
| Acetic Acid SCHEMBL8664510 | 0.86 | ALPL (0.52) | NPC1RAB9AALPLPOLBALPG | |
| SCHEMBL17438432 | 0.84 | MMP8 (0.48) | NPC1RAB9AMAPTL3MBTL1ALPL | |
| SCHEMBL17438851 | 0.82 | POLB (0.45) | NPC1RAB9AMAPTL3MBTL1ALPL | |
| Benzoic Acid SCHEMBL11538206 | 0.81 | CA2 (0.57) | NPC1RAB9AALPLPOLBALPG | |
| SCHEMBL486540 | 0.81 | NPC1 (0.45) | NPC1RAB9AALPLPOLBALPG | |
| SCHEMBL239595 | 0.77 | ALPL (0.44) | NPC1RAB9AALPLPOLBALPG | |
| Fluoride Ion SCHEMBL4615583 | 0.77 | SIGMAR1 (0.54) | MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2977395-A1 | HIGHLY REACTIVE, POLYURETHANE COMPOSITIONS CONTAINING URETDIONE GROUPS WHICH CONTAIN THE CARBONATE SALTS | Evonik Degussa GmbH (DE) | 2016-01-27 | — | — | EP | claimed |
| US-20160017179-A1 | HIGH-REACTIVITY POLYURETHANE COMPOSITIONS CONTAINING URETDIONE GROUPS AND COMPRISING CARBONATE SALTS | EVONIK DEGUSSA GMBH (DE) | 2016-01-21 | — | — | US | claimed |
| EP-2977395-A1 | HIGHLY REACTIVE, POLYURETHANE COMPOSITIONS CONTAINING URETDIONE GROUPS WHICH CONTAIN THE CARBONATE SALTS | Evonik Degussa GmbH (DE) | 2016-01-27 | — | — | EP | disclosed |
| US-20160017179-A1 | HIGH-REACTIVITY POLYURETHANE COMPOSITIONS CONTAINING URETDIONE GROUPS AND COMPRISING CARBONATE SALTS | EVONIK DEGUSSA GMBH (DE) | 2016-01-21 | — | — | US | disclosed |