Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL707867 | 0.82 | — | — | |
| SCHEMBL8428815 | 0.76 | CA1 (0.52) | CA1CA2CA7CA9CA12 | |
| SCHEMBL16577600 | 0.72 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL22472155 | 0.72 | CA1 (0.48) | CA1CA2CA7CA9CA12 | |
| SCHEMBL12894663 | 0.70 | CA1 (0.58) | CA1CA2CA7CA9CA12 | |
| SCHEMBL2103828 | 0.70 | TSHR (0.38) | MAPK1L3MBTL1KDM4ERAB9AALDH1A1 | |
| SCHEMBL6834823 | 0.69 | CA1 (0.65) | CA1CA2CA7CA9CA12 | |
| SCHEMBL10481599 | 0.68 | ALDH1A1 (0.50) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL21802643 | 0.68 | CA1 (1.00) | CA1CA2CA7CA9CA12 | |
| 1,4-Dimethoxybenzene SCHEMBL8489 | 0.68 | CA1 (1.00) | CA1CA2CA7CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008063134-A1 | METHOD OF PRODUCING A PATTERN OF DISCRIMINATIVE WETTABILITY | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2008-05-29 | — | — | WO | disclosed |