Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP3 | O14638 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.45 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL9955620 | 0.79 | IDO1 (0.45) | IDO1RAB9ANPC1SMN1; SMN2KMO | |
| SCHEMBL9956598 | 0.79 | IDO1 (0.45) | IDO1RAB9ANPC1SMN1; SMN2TSHR | |
| SCHEMBL2092720 | 0.77 | ENPP3 (0.46) | ENPP3METAP2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL102449 | 0.77 | RAB9A (0.41) | IDO1METAP2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9488955 | 0.76 | NPC1 (0.40) | RAB9ANPC1SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL8123490 | 0.76 | IDO1 (0.35) | IDO1RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL17028965 | 0.75 | IDO1 (0.49) | IDO1RAB9AHPGDKMOKDM4E | |
| SCHEMBL1894497 | 0.71 | MAOB (0.37) | KDM4EALDH1A1MAPT | |
| SCHEMBL3629467 | 0.70 | IDO1 (0.55) | ENPP3IDO1METAP2RAB9ANPC1 | |
| SCHEMBL11674446 | 0.69 | RAB9A (0.47) | ENPP3IDO1METAP2RAB9ANPC1 |
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-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 |