Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | DBH | P09172 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL9142419 | 1.00 | MCL1 (0.51) | MCL1GAAAKR1C3AKR1C2KDM4E | |
| SCHEMBL3161431 | 0.79 | MCL1 (0.72) | MCL1GAAAKR1C3AKR1C2KDM4E | |
| SCHEMBL1020499 | 0.79 | MCL1 (0.56) | MCL1GAAKDM4EHTTALDH1A1 | |
| SCHEMBL30826508 | 0.78 | MCL1 (0.55) | MCL1GAAAKR1C3AKR1C2KDM4E | |
| SCHEMBL29378476 | 0.77 | CA12 (0.59) | GAAKDM4EDBHRECQLTSHR | |
| SCHEMBL1830213 | 0.77 | CA12 (0.59) | GAAKDM4EDBHRECQLTSHR | |
| SCHEMBL3152318 | 0.75 | CA12 (0.62) | MCL1GAAKDM4ETSHRHTT | |
| SCHEMBL8431978 | 0.75 | MCL1 (0.51) | MCL1GAATSHRHTTHSD17B10 | |
| SCHEMBL21951012 | 0.75 | ALDH1A1 (0.65) | MCL1GAARECQLTSHRHTT | |
| SCHEMBL9142745 | 0.74 | GAA (0.49) | GAAKDM4ETSHRHTTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3653613-B1 | 1,3-DI-SUBSTITUTED KETENE COMPOUND AND APPLICATION THEREOF | BEBETTER MED INC (CN) | 2022-11-16 | — | — | EP | disclosed |