Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.38 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 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 | |
|---|---|---|---|---|
| SCHEMBL9955349 | 0.83 | NOTUM (0.39) | SMN1; SMN2TP53NOTUMACHEGAA | |
| SCHEMBL9955323 | 0.83 | ESR2 (0.44) | RAB9ANPC1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL9956334 | 0.69 | IMPDH2 (0.56) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL5548164 | 0.69 | RAB9A (0.49) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL7948113 | 0.69 | RAB9A (0.47) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL29373699 | 0.68 | ACHE (0.69) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL31471473 | 0.68 | ACHE (0.69) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL301247 | 0.68 | ACHE (0.69) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL9956286 | 0.68 | ENPP3 (0.45) | RAB9ANPC1SMN1; SMN2HPGDTSHR | |
| SCHEMBL8626847 | 0.68 | RAB9A (0.54) | 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 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 |