Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 1/20 | 0.54 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | FAAH | O00519 | 4/20 | 0.47 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.47 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10399771 | 0.91 | AR (0.50) | GRIN1GRIN2BKDM1AMAOAMAOB | |
| SCHEMBL10400090 | 0.89 | KDM1A (0.52) | GRIN1GRIN2BKDM1AMAOAMAOB | |
| SCHEMBL10399768 | 0.87 | TAOK1 (0.55) | GRIN2BSIGMAR1HRH3TAOK1TAOK3 | |
| SCHEMBL11851549 | 0.87 | CA1 (0.57) | GRIN1GRIN2BCA1CA2ACHE | |
| SCHEMBL10399462 | 0.82 | CYP26A1 (0.58) | GRIN1GRIN2BCA1CA2ACHE | |
| SCHEMBL10399740 | 0.81 | ALDH1A1 (0.47) | KDM1AMAOAMAOBCA1CA2 | |
| SCHEMBL10398571 | 0.80 | CYP1A2 (0.50) | MAOAMAOBTAOK1TAOK3SMN1; SMN2 | |
| SCHEMBL12524812 | 0.79 | GRIN2B (0.66) | GRIN1GRIN2BCA1CA2ACHE | |
| SCHEMBL12614692 | 0.76 | LTA4H (0.55) | KDM1AMAOAMAOBSMN1; SMN2GAA | |
| Hydrochloric Acid SCHEMBL27903791 | 0.75 | LTA4H (0.54) | KDM1AMAOAMAOBSMN1; SMN2GAA |
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-4975461-A | Enzymes/oxidoreductases/inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1990-12-04 | — | — | US | disclosed |