Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA6 | P23280 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29169535 | 0.81 | CA1 (0.48) | KDM4ECA1CA2CA4CA6 | |
| SCHEMBL29169540 | 0.81 | CA1 (0.48) | KDM4ECA1CA2CA4CA6 | |
| SCHEMBL11791938 | 0.81 | CA1 (0.48) | KDM4ECA1CA2CA4CA6 | |
| SCHEMBL3385822 | 0.80 | KDM4E (0.48) | KDM4EALDH1A1 | |
| SCHEMBL11009316 | 0.77 | IDO1 (0.41) | KDM4EIDO1MAOBCYP1A2CYP3A4 | |
| SCHEMBL8286333 | 0.76 | MAOB (0.37) | IDO1MAOBCYP1A2CYP2C19MMP1 | |
| SCHEMBL5532610 | 0.75 | IDO1 (0.42) | IDO1MAOBCYP1A2CYP2C19SCN3A | |
| SCHEMBL8619425 | 0.75 | PSEN1 (0.50) | KDM4ECYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11013642 | 0.72 | IDO1 (0.42) | IDO1MAOBMMP1MMP2MMP9 | |
| SCHEMBL5573132 | 0.72 | CTSB (0.39) | KDM4ECA1CA2CA4CA6 |
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-1716100-A2 | THERAPEUTIC AMIDE DERIVATIVES | Pfizer, Inc. (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005080317-A2 | THERAPEUTIC AMIDE DERIVATIVES | PFIZER JAPAN, INC. (JP) | 2005-09-01 | — | — | WO | disclosed |