Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.35 |
| ▸ | MMP2 | P08253 | 3/20 | 0.35 |
| ▸ | MMP8 | P22894 | 3/20 | 0.35 |
| ▸ | MMP13 | P45452 | 3/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28049428 | 0.74 | MAPT (0.38) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL4174555 | 0.73 | CYP3A4 (0.49) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL13967211 | 0.63 | CYP3A4 (0.41) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL29195204 | 0.63 | ELANE (0.46) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL7265185 | 0.63 | TSHR (0.38) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL6938729 | 0.63 | MMP9 (0.47) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL5448618 | 0.62 | MMP9 (0.64) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL7696985 | 0.61 | MMP9 (0.49) | CYP3A4ALDH1A1MAPTCYP2C9MMP9 | |
| SCHEMBL21379715 | 0.61 | ALDH1A1 (0.43) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT | |
| SCHEMBL2280698 | 0.60 | MAOA (0.39) | CYP3A4ALDH1A1KDM4ECYP1A2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1989188-A1 | THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS | Helicon Therapeutics, Inc. (US) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007100852-A1 | THERAPEUTIC PIPERAZINES AS PDE4 INHIBITORS | HELICON THERAPEUTICS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |