Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9081244 | 0.93 | ALDH1A1 (0.38) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL9082155 | 0.89 | TSHR (0.36) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL9082594 | 0.88 | MCL1 (0.42) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL8201115 | 0.88 | KDM4E (0.47) | TSHRKMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL11955735 | 0.88 | KDM4E (0.47) | TSHRKMT2AMEN1KDM4EALDH1A1 | |
| SCHEMBL3303470 | 0.87 | KDM4E (0.43) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL9082761 | 0.86 | KDM4E (0.41) | TSHRKMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL3305731 | 0.85 | MAPK1 (0.42) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL7665841 | 0.85 | RAB9A (0.44) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL18300905 | 0.84 | SMN1; SMN2 (0.43) | TSHRCA12CA1CA2CA9 |
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-1996034851-A1 | BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE | ABBOTT LABORATORIES (US) | 1996-11-07 | — | — | WO | disclosed |