Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 6/20 | 0.47 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17264227 | 0.79 | CYP1A2 (0.44) | CYP1A2CYP2D6CYP2C19HIF1ALMNA | |
| SCHEMBL361411 | 0.78 | EGFR (0.47) | EGFRERBB2PYCR1CYP1A2CYP2D6 | |
| SCHEMBL20362643 | 0.75 | GABRA1 (0.53) | CYP1A2CYP2D6CYP2C19HIF1ALMNA | |
| SCHEMBL1004778 | 0.74 | GABRA1 (0.70) | EGFRERBB2TSHRCA2ACHE | |
| SCHEMBL18378524 | 0.74 | ADORA2A (0.47) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL1698715 | 0.73 | GABRA1 (0.54) | CYP2C19CYP2C9LMNATSHR | |
| SCHEMBL8055820 | 0.73 | HSD17B10 (0.53) | EGFRCYP1A2CYP2D6CYP2C19LMNA | |
| SCHEMBL360477 | 0.73 | CYP2C19 (0.54) | EGFRCYP1A2CYP2D6CYP2C19CYP2C9 | |
| SCHEMBL15483812 | 0.72 | HSPA5 (0.50) | CYP1A2CYP2D6CYP2C19HIF1ATAAR1 | |
| SCHEMBL18137938 | 0.72 | PYCR1 (0.59) | PYCR1CYP1A2CYP2D6CYP2C19TAAR1 |
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 |