Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22179262 | 0.85 | MAPT (0.37) | MAPTEPHX2MIFRAB9ANPC1 | |
| SCHEMBL24213545 | 0.76 | HDAC1 (0.42) | ALDH1A1MAPTRAB9AKDM4EMAPK10 | |
| SCHEMBL5846805 | 0.74 | ALDH1A1 (0.47) | ALDH1A1MAPTEPHX2NR1H4MIF | |
| SCHEMBL24213565 | 0.72 | ROCK1 (0.39) | CYP17A1 | |
| SCHEMBL16808276 | 0.71 | ALDH1A1 (0.44) | ALDH1A1MAPTEPHX2NR1H4MIF | |
| SCHEMBL24290033 | 0.71 | MAPK1 (0.40) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1185621 | 0.71 | ALDH1A1 (0.63) | ALDH1A1MAPTEPHX2NR1H4ADRB2 | |
| SCHEMBL22084639 | 0.71 | ALDH1A1 (0.42) | ALDH1A1EPHX2NR1H4ADRB2ADRB1 | |
| SCHEMBL418939 | 0.70 | CYP17A1 (0.54) | ALDH1A1MAPTMIFRAB9ANPC1 | |
| SCHEMBL21003851 | 0.70 | ALDH1A1 (0.47) | ALDH1A1MAPTEPHX2NR1H4RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3892278-B1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2024-02-28 | — | — | EP | disclosed |
| EP-3892278-A1 | CYCLOALKANE-1,3-DIAMINE DERIVATIVE | Daiichi Sankyo Company, Limited (JP) | 2021-10-13 | — | — | EP | disclosed |