Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | MAOA | P21397 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 1/20 | 0.59 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 7/20 | 0.49 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL2635246 | 0.85 | FFAR1 (0.61) | LMNAFFAR4L3MBTL1FFAR1SRD5A2 | |
| SCHEMBL1403565 | 0.84 | CYP1A2 (0.77) | CYP1A2LMNAKDM4ENPC1TP53 | |
| SCHEMBL9670503 | 0.83 | CYP1A2 (0.67) | CYP1A2LMNAKDM4ENPC1TP53 | |
| SCHEMBL20207038 | 0.82 | FFAR1 (0.57) | CYP1A2LMNAKDM4ENPC1TP53 | |
| Bromide SCHEMBL11278067 | 0.81 | KDM4E (0.51) | CYP1A2LMNAKDM4ENPC1TP53 | |
| SCHEMBL10457695 | 0.80 | CA12 (0.51) | CYP1A2LMNAKDM4ENPC1TP53 | |
| SCHEMBL30901823 | 0.80 | CYP1A2 (0.54) | CYP1A2LMNAKDM4ENPC1TP53 | |
| SCHEMBL7735335 | 0.79 | FFAR1 (0.54) | LMNAFFAR4L3MBTL1FFAR1SRD5A2 | |
| SCHEMBL3974361 | 0.79 | CA12 (0.65) | LMNAKDM4ETP53CYP3A4MAPT | |
| SCHEMBL30595409 | 0.79 | CA12 (0.65) | LMNAKDM4ETP53CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101437796-A | Piperidine derivatives, their process for preparation, their use as therapeutic agents and pharmaceutical compositions containing them | ASTRAZENECA AB (SE) | 2009-05-20 | — | — | CN | disclosed |