Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 5/20 | 0.51 |
| ▸ | HSD17B2 | P37059 | 5/20 | 0.51 |
| ▸ | KDR | P35968 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | METAP2 | P50579 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3459364 | 0.82 | HSD17B1 (0.54) | HSD17B1HSD17B2KDRHDAC1HDAC6 | |
| SCHEMBL9955324 | 0.82 | ALDH1A1 (0.46) | HSD17B1HSD17B2KDRHDAC1HDAC6 | |
| SCHEMBL1748119 | 0.82 | L3MBTL1 (0.41) | KDRHDAC1HDAC6ALDH1A1NPC1 | |
| SCHEMBL334247 | 0.81 | KDR (0.52) | KDRKMT2ACNR1LOXL2 | |
| SCHEMBL9955397 | 0.79 | HSD17B1 (0.47) | HSD17B1HSD17B2KDRMEN1KMT2A | |
| SCHEMBL9954813 | 0.79 | ALDH1A1 (0.54) | HSD17B1HSD17B2KDRHDAC1HDAC6 | |
| SCHEMBL3176189 | 0.79 | MEN1 (0.44) | HSD17B1HSD17B2MEN1ALDH1A1KMT2A | |
| SCHEMBL18122016 | 0.78 | HSD17B1 (0.57) | HSD17B1HSD17B2KDRHDAC6MEN1 | |
| SCHEMBL11965515 | 0.78 | HSD17B1 (0.50) | HSD17B1HSD17B2KDRHDAC1HDAC6 | |
| SCHEMBL13680662 | 0.77 | HSD17B1 (0.51) | HSD17B1HSD17B2KDRHDAC1HDAC6 |
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-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 |