Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.68 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.46 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HK1 | P19367 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9955024 | 0.82 | CYP19A1 (0.67) | MAPTCYP19A1IDO1PDE3BPDE3A | |
| SCHEMBL3764574 | 0.81 | KDM4E (0.70) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL6699384 | 0.81 | MEN1 (1.00) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL28932584 | 0.79 | KDM4E (0.68) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8700799 | 0.79 | KDM4E (0.68) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL9454811 | 0.79 | ATP4A (0.56) | MAPTMEN1KMT2AALDH1A1CYP19A1 | |
| SCHEMBL15351730 | 0.79 | ALDH1A1 (0.68) | MAPTMEN1KMT2AALDH1A1CYP19A1 | |
| SCHEMBL2490867 | 0.79 | MEN1 (0.59) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL21283206 | 0.78 | RAB9A (0.63) | KDM4EMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL956221 | 0.77 | ALDH1A1 (0.61) | KDM4EMAPTMEN1KMT2AALDH1A1 |
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-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 |