Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1315960 | 0.81 | HSD17B10 (0.41) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL1315783 | 0.80 | NOTUM (0.40) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL28049660 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL20568246 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL31019228 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL28640226 | 0.78 | ALDH1A1 (0.43) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL3293016 | 0.77 | ALDH1A1 (0.52) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL5936414 | 0.77 | CYP3A4 (0.55) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL4655268 | 0.77 | CYP3A4 (0.55) | ALDH1A1HSD17B10KDM4ECYP3A4CA2 | |
| SCHEMBL14448981 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HSD17B10KDM4ECYP3A4PKM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017210072-A1 | ELECTROACTIVE COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2017-12-07 | — | — | WO | disclosed |