Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7521505 | 0.88 | ALDH1A1 (0.50) | KIF11PTPN1KCNH2ALDH1A1HPGD | |
| SCHEMBL30010643 | 0.88 | ALDH1A1 (0.50) | KIF11PTPN1KCNH2ALDH1A1HPGD | |
| SCHEMBL24657652 | 0.83 | BACE1 (0.43) | KIF11BACE1PTPN1METAP2MEN1 | |
| SCHEMBL12895896 | 0.80 | BACE1 (0.52) | KIF11BACE1PTPN1ALDH1A1METAP2 | |
| SCHEMBL29438045 | 0.80 | ALDH1A1 (0.48) | KIF11KCNH2ALDH1A1HPGDALOX15 | |
| SCHEMBL983124 | 0.80 | ALDH1A1 (0.48) | KIF11KCNH2ALDH1A1HPGDALOX15 | |
| SCHEMBL3418351 | 0.80 | ALDH1A1 (0.48) | KIF11KCNH2ALDH1A1HPGDALOX15 | |
| SCHEMBL12895889 | 0.80 | BACE1 (0.52) | KIF11BACE1PTPN1ALDH1A1METAP2 | |
| SCHEMBL29447635 | 0.80 | ALDH1A1 (0.48) | KIF11KCNH2ALDH1A1HPGDALOX15 | |
| SCHEMBL29438049 | 0.80 | ALDH1A1 (0.48) | KIF11KCNH2ALDH1A1HPGDALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| US-9486422-B2 | Small molecule inhibitors of Mcl-1 and the uses of thereof | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2016-11-08 | — | — | US | disclosed |