Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 1.00 |
| ▸ | NPC1 | O15118 | 4/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.79 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.79 |
| ▸ | MAPT | P10636 | 4/20 | 0.79 |
| ▸ | TSHR | P16473 | 3/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.76 |
| ▸ | HPGD | P15428 | 2/20 | 0.75 |
| ▸ | AHR | P35869 | 1/20 | 0.75 |
| ▸ | TP53 | P04637 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | CASP1 | P29466 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL5691252 | 0.83 | RAB9A (0.71) | RAB9ANPC1MAPK1KDM4EHSD17B10 | |
| SCHEMBL6638013 | 0.83 | TSHR (0.73) | RAB9ANPC1MAPK1KDM4EHSD17B10 | |
| SCHEMBL12838359 | 0.83 | NPC1 (0.70) | RAB9ANPC1MAPK1KDM4EHSD17B10 | |
| SCHEMBL6633618 | 0.79 | KMT2A (0.89) | RAB9ANPC1MAPK1KDM4EMAPT | |
| SCHEMBL31680510 | 0.78 | SMN1; SMN2 (0.88) | RAB9ANPC1KDM4EMAPTTSHR | |
| SCHEMBL12214430 | 0.78 | RAB9A (1.00) | RAB9ANPC1KDM4EHSD17B10MAPT | |
| SCHEMBL6632076 | 0.78 | NPC1 (1.00) | RAB9ANPC1MAPK1KDM4EMAPT | |
| SCHEMBL20188060 | 0.77 | TSHR (0.74) | RAB9ANPC1MAPK1KDM4EHSD17B10 | |
| SCHEMBL7294117 | 0.77 | KDM4E (0.81) | RAB9ANPC1KDM4EHSD17B10MAPT | |
| SCHEMBL8820811 | 0.77 | SMN1; SMN2 (0.76) | RAB9ANPC1MAPK1KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11815475-B2 | Method for identifying molecular structure | THE UNIVERSITY OF TOKYO (JP) | 2023-11-14 | — | — | US | disclosed |
| US-11815475-B2 | Method for identifying molecular structure | THE UNIVERSITY OF TOKYO (JP) | 2023-11-14 | — | — | US | disclosed |
| US-20200096461-A1 | METHOD FOR IDENTIFYING MOLECULAR STRUCTURE | THE UNIVERSITY OF TOKYO (JP) | 2020-03-26 | — | — | US | disclosed |