Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 4/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.33 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6053403 | 0.81 | EGFR (0.41) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL360477 | 0.79 | CYP2C19 (0.54) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL69852 | 0.77 | HSPA5 (0.53) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL4444016 | 0.75 | SHBG (0.44) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL11686137 | 0.73 | CHEK1 (0.55) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL14430758 | 0.73 | NPC1 (0.38) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL16077899 | 0.73 | NPC1 (0.38) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL14534585 | 0.73 | THRB (0.38) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL361411 | 0.73 | EGFR (0.47) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 | |
| SCHEMBL22166500 | 0.72 | CYP1A2 (0.51) | HIF1ACYP2C9CYP2C19HSD17B10CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012007948-A2 | CYTOTOXIC Ti (IV) COMPOUNDS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2012-01-19 | — | — | WO | claimed |
| WO-2012007948-A2 | CYTOTOXIC Ti (IV) COMPOUNDS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2012-01-19 | — | — | WO | disclosed |