Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | TOP1 | P11387 | 3/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CFD | P00746 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8679606 | 0.88 | TSHR (0.62) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL2219667 | 0.81 | TSHR (0.64) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL10767069 | 0.79 | TSHR (0.66) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL6862455 | 0.74 | ALDH1A1 (0.41) | RAB9AKDM4EALDH1A1GAAPKM | |
| SCHEMBL15338895 | 0.74 | TSHR (0.50) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL14903561 | 0.74 | TSHR (0.67) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL2219672 | 0.73 | GAA (0.62) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL7192757 | 0.72 | JUN (0.58) | KDM4EALDH1A1GAASMN1; SMN2JUN | |
| SCHEMBL6550416 | 0.71 | TSHR (0.75) | TSHRRAB9AKDM4EALDH1A1GAA | |
| SCHEMBL15339149 | 0.71 | TSHR (0.41) | TSHRRAB9AKDM4EALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712268-A | Compositions of tricyclic β-lactams and uses thereof | HOFFMANN-LA ROCHE INC. (US) | 1998-01-27 | — | — | US | disclosed |
| US-5698577-A | ANTIBIOTICS | HOFFMANN-LA ROCHE INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5510343-A | BETA-LACTAMASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-04-23 | — | — | US | disclosed |