Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.31 |
| ▸ | HPGD | P15428 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7160317 | 1.00 | TDP1 (0.41) | TDP1TSHRCYP3A4GAAMAPT | |
| SCHEMBL6476278 | 0.88 | TDP1 (0.48) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL452543 | 0.80 | TDP1 (0.43) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL6483817 | 0.78 | TDP1 (0.44) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL3459899 | 0.78 | TDP1 (0.44) | TDP1TSHRCYP3A4GAAMAPT | |
| Dioxane SCHEMBL28165359 | 0.77 | TSHR (0.49) | TDP1TSHRCYP3A4GAAMAPT | |
| SCHEMBL17662069 | 0.76 | TDP1 (0.43) | TDP1TSHRCYP3A4MAPTCACNA1B | |
| SCHEMBL536216 | 0.74 | — | — | |
| Oxirane SCHEMBL28320649 | 0.74 | TSHR (0.50) | TDP1TSHRCYP3A4GAAMAPT | |
| SCHEMBL8725865 | 0.74 | TDP1 (0.42) | TDP1TSHRCYP3A4MAPTCACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| JP-1104067-A | — | — | None | — | — | JP | disclosed |
| US-5133934-A | Enantiomorphs of bis/12-crown-4-methyl/ dialkyl malonate, a carrier and ionophore | MILES INC. (US) | 1992-07-28 | — | — | US | disclosed |
| JP-H01104067-A | COMPOSITION FOR MEASURING SODIUM ION | MILES INC | 1989-04-21 | — | — | JP | disclosed |