Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 1.00 |
| ▸ | HPGD | P15428 | 10/20 | 1.00 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 1.00 |
| ▸ | RAB9A | P51151 | 4/20 | 1.00 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.72 |
| ▸ | GAA | P10253 | 3/20 | 0.72 |
| ▸ | USP2 | O75604 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 5/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | UBE2I | P63279 | 1/20 | 0.56 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.56 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL10090714 | 0.84 | AKR1C3 (1.00) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL10090703 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL10090692 | 0.83 | AKR1C3 (0.72) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL15042986 | 0.83 | AKR1C3 (0.72) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL10090712 | 0.78 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL2679795 | 0.78 | RAB9A (0.64) | ALDH1A1HPGDKDM4ERAB9AGAA | |
| SCHEMBL15317952 | 0.77 | KDM4E (0.62) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL10090704 | 0.75 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL10090747 | 0.74 | ALDH1A1 (0.72) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 | |
| SCHEMBL10090743 | 0.74 | ALDH1A1 (0.72) | ALDH1A1HPGDKDM4ERAB9AAKR1C3 |
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-2012027392-A2 | ANTIMETASTATIC COMPOUNDS | BRIGHAM YOUNG UNIVERSITY (US) | 2012-03-01 | — | — | WO | disclosed |