Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.45 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.41 |
| ▸ | RXRB | P28702 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | RXRG | P48443 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL5538640 | 0.86 | PTGS1 (0.53) | RAB9ANPC1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL9954109 | 0.83 | ADORA2A (0.45) | ALDH1A1KMT2ANOTUMGPBAR1MAPK1 | |
| SCHEMBL10263008 | 0.82 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL3912758 | 0.82 | KDM4E (0.53) | SMN1; SMN2HPGDMAPK14ALDH1A1KMT2A | |
| SCHEMBL4524495 | 0.77 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL9955622 | 0.76 | RAB9A (0.45) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL4546890 | 0.75 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL5544010 | 0.72 | PTGS1 (0.53) | RAB9ANPC1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL9955688 | 0.72 | NPSR1 (0.48) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL27315780 | 0.71 | KDM4E (0.53) | RAB9ANPC1SMN1; SMN2HPGDTSHR |
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-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 |
| 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 |