Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.59 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.59 |
| ▸ | BCR | P11274 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.39 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2090372 | 0.80 | ABL1 (0.88) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL533504 | 0.78 | HSD17B1 (0.70) | ABL1ABCB1BCRESR1HSD17B1 | |
| SCHEMBL49762 | 0.78 | ESR1 (0.65) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL18675344 | 0.77 | ABL1 (0.82) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL196583 | 0.76 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL337732 | 0.76 | BACE1 (0.73) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL28309698 | 0.75 | NQO1 (0.54) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL379088 | 0.75 | ABL1 (1.00) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL5610337 | 0.73 | CA1 (0.64) | ESR1HSD17B1HSD17B2CYP2C9ESR2 | |
| SCHEMBL208526 | 0.73 | ALDH1A1 (0.35) | TP53ESR1CYP3A4ESR2ALDH1A1 |
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-2009067697-A1 | THERAPEUTIC COMPOUNDS | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2009-05-28 | — | — | WO | disclosed |