Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | FYN | P06241 | 3/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.38 |
| ▸ | RELA | Q04206 | 2/20 | 0.38 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.37 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.37 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27635243 | 0.80 | RAB9A (0.49) | SMN1; SMN2NPC1RAB9AMAPTSTAT3 | |
| SCHEMBL28307106 | 0.78 | NPC1 (0.46) | SMN1; SMN2NPC1RAB9AMAPTTP53 | |
| SCHEMBL27866833 | 0.77 | SMN1; SMN2 (0.47) | SMN1; SMN2NPC1RAB9AMAPTSTAT3 | |
| SCHEMBL5265678 | 0.77 | CA2 (0.58) | SMN1; SMN2NPC1RAB9AMAPTSTAT3 | |
| SCHEMBL14234079 | 0.75 | ESR1 (0.50) | NPC1RAB9AMAPTNFKB1KDM4E | |
| SCHEMBL9278177 | 0.73 | SMN1; SMN2 (0.50) | SMN1; SMN2NPC1RAB9AMAPTSTAT3 | |
| SCHEMBL28146267 | 0.72 | CYP1A2 (0.46) | SMN1; SMN2NPC1RAB9ACYP2C9HCAR2 | |
| SCHEMBL28147341 | 0.72 | MKNK1 (0.55) | SMN1; SMN2NPC1RAB9AMAPTCYP2C9 | |
| SCHEMBL27694530 | 0.72 | RAB9A (0.49) | SMN1; SMN2NPC1RAB9AMAPTSTAT3 | |
| SCHEMBL28179838 | 0.71 | CYP2D6 (0.47) | MAPTCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101657471-B | Bicyclic compounds and their use as antidiabetics | SMITHKLINE BEECHAM CORP | 2013-07-03 | — | — | CN | disclosed |
| CN-101657471-A | Bicyclic compounds and their use as antidiabetics | SMITHKLINE BEECHAM CORP US | 2010-02-24 | — | — | CN | disclosed |