Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7215570 | 0.78 | CA1 (0.52) | KDM4EALDH1A1SMN1; SMN2BCAT1NPC1 | |
| SCHEMBL167548 | 0.76 | SMN1; SMN2 (0.58) | KDM4ECA9ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL27529113 | 0.75 | CA1 (0.55) | CA9ALDH1A1SMN1; SMN2TDP1LMNA | |
| SCHEMBL11424588 | 0.74 | TDP1 (0.40) | CA9ALDH1A1SMN1; SMN2TDP1LMNA | |
| SCHEMBL8909408 | 0.73 | KDM4E (0.38) | KDM4ECA9ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL3971060 | 0.73 | SMN1; SMN2 (0.37) | CA9ALDH1A1SMN1; SMN2TSHRNPSR1 | |
| SCHEMBL8390840 | 0.72 | ALDH1A1 (0.35) | CA9ALDH1A1SMN1; SMN2GAALMNA | |
| SCHEMBL3971066 | 0.72 | TSHR (0.66) | CA9ALDH1A1GAATSHRNPSR1 | |
| SCHEMBL1828000 | 0.71 | CA1 (0.35) | KDM4ECA9ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL182553 | 0.71 | ALDH1A1 (0.54) | KDM4EALDH1A1SMN1; SMN2NPC1POLB |
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-5600015-A | USING RUTHENIUM COMPLEX OF OPTICALLY ACTIVE ATROPISOMERIC DIPHOSPHINE LIGAND AS HYDROGENATION CATALYST | HOFFMANN-LA ROCHE INC. (US) | 1997-02-04 | — | — | US | disclosed |