Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP3 | O14638 | 3/20 | 0.59 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | METAP2 | P50579 | 1/20 | 0.44 |
| ▸ | ATP4A | P20648 | 2/20 | 0.42 |
| ▸ | ATP4B | P51164 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL10263343 | 0.82 | ENPP3 (0.84) | ENPP3IDO1METAP2RAB9ANPC1 | |
| SCHEMBL9955528 | 0.82 | CYP19A1 (0.46) | IDO1ATP4AATP4BRAB9ANPC1 | |
| SCHEMBL9954331 | 0.79 | KDM4E (0.50) | IDO1KDM4EBCHEACHEKMO | |
| SCHEMBL3632196 | 0.79 | CYP19A1 (0.48) | ENPP3ATP4AATP4BRAB9ANPC1 | |
| SCHEMBL17922274 | 0.78 | ENPP3 (0.65) | ENPP3IDO1METAP2RAB9ANPC1 | |
| SCHEMBL3635042 | 0.77 | MEN1 (0.48) | ENPP3RAB9ANPC1KDM4ESMN1; SMN2 | |
| SCHEMBL27009164 | 0.77 | ENPP3 (0.56) | ENPP3IDO1METAP2ATP4AATP4B | |
| SCHEMBL17922235 | 0.77 | ENPP3 (0.56) | ENPP3IDO1METAP2RAB9ANPC1 | |
| SCHEMBL9454811 | 0.76 | ATP4A (0.56) | ENPP3IDO1METAP2ATP4AATP4B | |
| SCHEMBL3718120 | 0.74 | ENPP3 (0.54) | ENPP3RAB9ANPC1KDM4EXDH |
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-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-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |