Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24672899 | 0.99 | TSHR (0.44) | TSHRMAPTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL24673226 | 0.88 | TSHR (0.39) | TSHRMAPTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL9388579 | 0.85 | TSHR (0.53) | TSHRMAPTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL20175942 | 0.82 | TSHR (0.59) | TSHRMAPTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL13051280 | 0.81 | TSHR (0.58) | TSHRMAPTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL24672231 | 0.80 | PRKCI (0.40) | MAPTPRKCIACHEKDM4EHTT | |
| SCHEMBL24673217 | 0.79 | TSHR (0.33) | TSHRMAPTPRKCIACHEKDM4E | |
| SCHEMBL18197359 | 0.76 | TSHR (0.53) | TSHRMAPTCYP1A2CYP2D6NFKB1 | |
| SCHEMBL24672699 | 0.76 | POLB (0.39) | MAPTPRKCIACHEAPPKDM4E | |
| SCHEMBL15483822 | 0.76 | HTR1A (0.47) | TSHRCYP1A2CYP2D6CYP2C19HSD17B10 |
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 |