Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 2/20 | 0.34 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5083181 | 1.00 | KDM4E (0.41) | KDM4EGAAL3MBTL1ADRB2MEN1 | |
| SCHEMBL5081008 | 0.93 | KDM4E (0.40) | KDM4EGAAL3MBTL1ADRB2MEN1 | |
| SCHEMBL5083213 | 0.86 | KCNN4 (0.42) | KDM4EGAAL3MBTL1ADRB2MEN1 | |
| SCHEMBL4723651 | 0.86 | CYP1A2 (0.48) | KDM4ECYP1A2CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4721568 | 0.85 | PDE5A (0.41) | KDM4EADRB2MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL4723561 | 0.81 | ALDH1A1 (0.40) | KDM4EMEN1KMT2APDE5AALDH1A1 | |
| SCHEMBL4724808 | 0.79 | APP (0.46) | KDM4EGAAL3MBTL1MEN1KMT2A | |
| SCHEMBL5087245 | 0.78 | CYP1A2 (0.35) | KDM4EL3MBTL1ADRB2HTR7CYP1A2 | |
| SCHEMBL5083175 | 0.72 | PPARG (0.31) | — | |
| SCHEMBL8748691 | 0.71 | KDM4E (0.44) | KDM4EGAAL3MBTL1ADRB2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7375081-B2 | Therapeutic combination of a pneumocandin derivative and an antifungal agent | ASTELLAS PHARMA INC. (JP) | 2008-05-20 | — | — | US | claimed |
| US-6875740-B1 | Combination of a cyclic hexapeptide with antifungal drugs for treatment of fungal pathogens | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2005-04-05 | — | — | US | claimed |