Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 9/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 9/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 9/20 | 0.41 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | CA5A | P35218 | 2/20 | 0.38 |
| ▸ | CA7 | P43166 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.38 |
| ▸ | F13A1 | P00488 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL5551574 | 0.89 | HTT (0.51) | HTTGRIN1GRIN2AGRIN2BALOX15 | |
| Salicylic Acid SCHEMBL5551628 | 0.84 | ALDH1A1 (0.51) | HTTGRIN1GRIN2AGRIN2BHMGB1 | |
| SCHEMBL5551164 | 0.84 | HTT (0.47) | HTTGRIN1GRIN2AGRIN2B | |
| SCHEMBL5547296 | 0.83 | ALDH1A1 (0.53) | HTTGRIN1GRIN2AGRIN2B | |
| Diethanolamine SCHEMBL1832794 | 0.81 | ALDH1A1 (0.43) | HTTCA12CA1CA2CA7 | |
| Monoethanolamine SCHEMBL1834713 | 0.81 | HMGB1 (0.50) | HMGB1CA12CA1CA2CA4 | |
| Benzoic Acid SCHEMBL5547336 | 0.80 | GRIN1 (0.47) | HTTGRIN1GRIN2AGRIN2BTSHR | |
| SCHEMBL5551414 | 0.77 | CA12 (0.41) | HTTGRIN1GRIN2AGRIN2BCA12 | |
| SCHEMBL5548294 | 0.77 | CA12 (0.41) | GRIN1GRIN2AGRIN2BCA12CA1 | |
| Bicarbonate SCHEMBL5552761 | 0.77 | CA12 (0.56) | CA12CA1CA2CA3CA4 |
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-20070185330-A1 | Liquids | THE UNIVERSITY OF YORK (GB) | 2007-08-09 | — | — | US | claimed |