Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | RARB | P10826 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | LTA4H | P09960 | 2/20 | 0.46 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13739981 | 0.88 | ALDH1A1 (0.63) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL7288765 | 0.88 | ALDH1A1 (0.63) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL7289971 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL2123631 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL3071049 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL3086009 | 0.86 | ALDH1A1 (0.61) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL1443663 | 0.86 | ALDH1A1 (0.69) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL31668909 | 0.85 | LTA4H (0.64) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL1164661 | 0.85 | ALDH1A1 (0.67) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 | |
| SCHEMBL10497693 | 0.85 | ALDH1A1 (0.67) | ALDH1A1LMNAMAPTHPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7285619-B2 | Echinocandin derivatives, their method of preparation and their application as anti-fungal agents | AVENTIS PHARMA S.A. (FR) | 2007-10-23 | — | — | US | disclosed |
| US-7192920-B2 | Derivatives of echinocandine, their preparation process and their use as antifungals | AVENTIS PHARMA SA (FR) | 2007-03-20 | — | — | US | disclosed |
| US-7160983-B2 | Echinocandin derivatives, their method of preparation and their application as anti-fungal agents | AVENTIS PHARMA S.A. (FR) | 2007-01-09 | — | — | US | disclosed |