Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 7/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8633823 | 0.85 | NCF1 (0.39) | NCF1MEN1KMT2AMAPTLMNA | |
| SCHEMBL8653967 | 0.84 | PDGFRB (0.51) | NCF1HSD17B10ADRB2TSHR | |
| SCHEMBL8649593 | 0.79 | NCF1 (0.58) | NCF1MEN1KMT2AMAPTHTT | |
| SCHEMBL8700994 | 0.78 | AOC3 (0.41) | MEN1KMT2AMAPTMAPK1HSD17B10 | |
| SCHEMBL8633635 | 0.76 | TSHR (0.44) | MAPTMAPK1HSD17B10SMN1; SMN2TSHR | |
| SCHEMBL900155 | 0.74 | NCF1 (0.82) | NCF1MEN1KMT2AMAPTHTT | |
| SCHEMBL8633385 | 0.74 | HSD17B10 (0.43) | KMT2AMAPTMAPK1HSD17B10SMN1; SMN2 | |
| SCHEMBL8696288 | 0.73 | HSD17B10 (0.36) | MEN1KMT2AHTTLMNAHSD17B10 | |
| SCHEMBL15277916 | 0.72 | NCF1 (0.75) | NCF1MEN1KMT2AMAPTHTT | |
| SCHEMBL8649587 | 0.72 | NCF1 (0.60) | NCF1MEN1KMT2AMAPTHTT |
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-5750754-A | TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS | ZENECA LIMITED (GB) | 1998-05-12 | — | — | US | disclosed |