Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | FDPS | P14324 | 4/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CA4 | P22748 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.39 |
| ▸ | CCR8 | P51685 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL1400873 | 0.88 | CA2 (0.54) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL29822627 | 0.88 | CA2 (0.54) | CA2CA1FDPSCES2CES1 | |
| Water SCHEMBL28253140 | 0.86 | CA2 (0.52) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL17489096 | 0.80 | CA2 (0.50) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL7039205 | 0.80 | CA2 (0.50) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL11789660 | 0.80 | CA2 (0.50) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL5362159 | 0.78 | CA1 (1.00) | CA2CA1CES2CES1LMNA | |
| SCHEMBL1204670 | 0.78 | CA1 (0.58) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL5669743 | 0.75 | CA2 (0.45) | CA2CA1FDPSCES2CES1 | |
| SCHEMBL5669736 | 0.75 | CA2 (0.45) | CA2CA1FDPSCES2CES1 |
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-2023225032-A2 | NEAR IR LUMINESCENCE AND OPTICALLY ADDRESSABLE QUANTUM SENSING AND MAGNETIC IMAGING WITH RADICALOID TETRATHIAFULVALENE TETRATHIOLATES | THE UNIVERSITY OF CHICAGO (US) | 2023-11-23 | — | — | WO | disclosed |