Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL2751625 | 0.81 | HSD17B1 (0.31) | HSD17B1HSD17B2NOTUM | |
| SCHEMBL69540 | 0.81 | KDR (0.40) | MEN1KMT2A | |
| SCHEMBL17028871 | 0.79 | IDO1 (0.46) | IDO1NOTUM | |
| SCHEMBL4867372 | 0.79 | MAP4K4 (0.47) | KDM4EMEN1MAPTKMT2ACYP3A4 | |
| SCHEMBL1900288 | 0.79 | BACE1 (0.41) | IDO1TAAR1NOTUMCHRNB4CHRNA3 | |
| SCHEMBL2897272 | 0.79 | IDO1 (0.41) | HSD17B1HSD17B2IDO1MEN1KMT2A | |
| SCHEMBL2750867 | 0.76 | HSD17B1 (0.40) | HSD17B1HSD17B2KDM4ECYP11B2NOTUM | |
| SCHEMBL8876829 | 0.72 | KDM4E (0.50) | KDM4EMEN1MAPTKMT2ANOTUM | |
| SCHEMBL500466 | 0.71 | HSD17B1 (0.34) | HSD17B1HSD17B2KDM4EMEN1KMT2A | |
| SCHEMBL4756537 | 0.71 | HSD17B1 (0.45) | HSD17B1HSD17B2IDO1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |