Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.36 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CFD | P00746 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 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 | |
|---|---|---|---|---|
| SCHEMBL23582227 | 0.87 | ALOX5AP (0.45) | ALDH1A1CYP3A4TSHRGAAMAPT | |
| SCHEMBL28809504 | 0.83 | KMT2A (0.38) | ALDH1A1CYP3A4TSHRGAAMAPT | |
| SCHEMBL19873703 | 0.81 | ALDH1A1 (0.38) | ALDH1A1CYP3A4TSHRGAAMAPT | |
| SCHEMBL27714081 | 0.81 | NPSR1 (0.40) | MAPTPLA2G10PLA2G2ANPSR1KMT2A | |
| SCHEMBL11955022 | 0.78 | CYP3A4 (0.42) | ALDH1A1CYP3A4TSHRGAAMAPT | |
| SCHEMBL4635593 | 0.76 | KMT2A (0.35) | MAPTPLA2G10PLA2G2ANPSR1KMT2A | |
| SCHEMBL23374457 | 0.75 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TSHRGAAMAPT | |
| SCHEMBL17849008 | 0.75 | ALDH1A1 (0.40) | ALDH1A1GAAMAPTPOLBNPSR1 | |
| SCHEMBL1661666 | 0.73 | ALDH1A1 (0.34) | ALDH1A1GAAMAPTPOLBKMT2A | |
| SCHEMBL31582761 | 0.73 | ALDH1A1 (0.34) | ALDH1A1TSHRMAPTPOLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102066384-B | Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL MYERS SQUIBB CO | 2014-07-30 | — | — | CN | disclosed |
| CN-102066384-A | Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands | BRISTOL MYERS SQUIBB CO | 2011-05-18 | — | — | CN | disclosed |