Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | APP | P05067 | 4/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2551646 | 0.83 | GAA (0.42) | TSHRHTR1ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9388579 | 0.83 | TSHR (0.53) | TSHRAPPHTR1AACHEBCHE | |
| SCHEMBL24673193 | 0.83 | APP (0.39) | TSHRAPPHTR1A | |
| SCHEMBL15483822 | 0.80 | HTR1A (0.47) | TSHRHTR1ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL20175942 | 0.80 | TSHR (0.59) | TSHRHTR1AACHEBCHEPRKCI | |
| SCHEMBL15483812 | 0.77 | HSPA5 (0.50) | TSHRHTR1ACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL13051280 | 0.75 | TSHR (0.58) | TSHRHTR1AACHEPRKCICYP1A2 | |
| SCHEMBL24672899 | 0.75 | TSHR (0.44) | TSHRAPPHTR1AACHEBCHE | |
| SCHEMBL18197359 | 0.74 | TSHR (0.53) | TSHRAPPHTR1AACHEBCHE | |
| SCHEMBL17342246 | 0.74 | AKR1B1 (0.50) | TSHRAPPHTR1ACYP2C19MAPT |
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-2022204065-A1 | IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-09-29 | — | — | WO | disclosed |