Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | P4HB | P07237 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1330201 | 0.98 | — | — | |
| SCHEMBL29566889 | 0.98 | — | — | |
| SCHEMBL51546 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL28758837 | 0.95 | ENPP2 (0.52) | ENPP2CA12CA2CA9ALDH1A1 | |
| SCHEMBL27941360 | 0.89 | CA12 (0.50) | ENPP2CA12CA2CA9P4HB | |
| Butane SCHEMBL27795956 | 0.87 | ENPP2 (0.46) | ENPP2CA12CA2CA9ALDH1A1 | |
| SCHEMBL28140796 | 0.86 | ENPP2 (0.48) | ENPP2CA12CA2CA9ALDH1A1 | |
| SCHEMBL1029016 | 0.85 | HSD17B1 (0.58) | ENPP2P4HBCYP3A4CLK4XDH | |
| SCHEMBL30165928 | 0.85 | HSD17B1 (0.58) | ENPP2P4HBCYP3A4CLK4XDH | |
| Benzonitrile SCHEMBL28338020 | 0.84 | TSHR (0.64) | ENPP2CA12CA2CA9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1123933-A1 | 2-[5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]chromane as CNS active agent | MERCK PATENT GmbH (DE) | 2001-08-16 | — | — | EP | disclosed |
| US-5767132-A | CENTRAL NERVOUS SYSTEM | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-06-16 | — | — | US | disclosed |
| EP-0707007-A1 | Amino(thio)ether derivatives as CNS active agents | MERCK PATENT GmbH (DE) | 1996-04-17 | — | — | EP | disclosed |
| US-4031232-A | 1-Alkyl-2-(phenoxymethyl)-5-nitro-imidazoles and process for their manufacture | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |