Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 2/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 3/20 | 0.40 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | NT5E | P21589 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL9955324 | 0.82 | ALDH1A1 (0.46) | HSD17B1HSD17B2CYP3A4CYP2C9KDR | |
| SCHEMBL334247 | 0.81 | KDR (0.52) | KDRCNR1LOXL2KMT2A | |
| SCHEMBL3176189 | 0.79 | MEN1 (0.44) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 | |
| SCHEMBL2403212 | 0.79 | HSD17B1 (0.47) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 | |
| SCHEMBL2406300 | 0.79 | KDM4E (0.54) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 | |
| SCHEMBL9954919 | 0.79 | HSD17B1 (0.51) | HSD17B1HSD17B2CYP3A4CYP2C9KDR | |
| SCHEMBL29393032 | 0.79 | KDM4E (0.54) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 | |
| SCHEMBL16886210 | 0.76 | LOXL2 (0.50) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 | |
| SCHEMBL982543 | 0.76 | HSD17B1 (0.44) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 | |
| SCHEMBL1765207 | 0.74 | MLYCD (0.46) | HSD17B1HSD17B2KDM4ECYP3A4CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| 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 |