Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | MET | P08581 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10603090 | 0.85 | KDM4E (0.45) | ALDH1A1CYP3A4KDM4EHSD17B10MAPT | |
| SCHEMBL2776572 | 0.85 | ALDH1A1 (0.48) | ALDH1A1CYP3A4KDM4EHSD17B10IDH1 | |
| SCHEMBL10603089 | 0.84 | ABCB11 (0.41) | ALDH1A1CYP3A4KDM4EHSD17B10KMT2A | |
| SCHEMBL4472398 | 0.81 | PDE7A (0.52) | ALDH1A1CYP3A4KDM4EMAPTKMT2A | |
| SCHEMBL7566203 | 0.81 | ALDH1A1 (0.52) | ALDH1A1CYP3A4KDM4EHSD17B10IDH1 | |
| SCHEMBL10732769 | 0.81 | CYP1A2 (0.42) | ALDH1A1CYP3A4KDM4EHSD17B10MAPT | |
| SCHEMBL5666942 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP3A4KDM4EHSD17B10IDH1 | |
| Acetic Acid SCHEMBL9331113 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP3A4KDM4EHSD17B10MAPT | |
| SCHEMBL9817705 | 0.77 | IMPDH2 (0.54) | ALDH1A1CYP3A4KDM4EHSD17B10MAPT | |
| SCHEMBL3398453 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4IDH1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7705045-B2 | compounds comprising a specifier linked to two or more of the same or different leaving groups via a self-eliminating multiple release spacer or spacer system, which compounds upon a single activation step, in particular removal or transformation of the specifier, release two or more leaving groups | SYNTARGA, B.V. (NL) | 2010-04-27 | — | — | US | disclosed |
| US-7705045-B2 | compounds comprising a specifier linked to two or more of the same or different leaving groups via a self-eliminating multiple release spacer or spacer system, which compounds upon a single activation step, in particular removal or transformation of the specifier, release two or more leaving groups | SYNTARGA, B.V. (NL) | 2010-04-27 | — | — | US | disclosed |