Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | GRM5 | P41594 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29952466 | 0.82 | FFAR1 (0.55) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3783164 | 0.82 | FFAR1 (0.55) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL15758447 | 0.81 | FFAR1 (0.54) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL28917230 | 0.81 | CYP2A6 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL7240082 | 0.80 | CHRNB2 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL31697750 | 0.80 | CYP2A6 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL854400 | 0.80 | CYP2A6 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| Potassium Ion SCHEMBL15758446 | 0.79 | FFAR1 (0.49) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3796332 | 0.79 | CYP2A6 (0.67) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL7452756 | 0.78 | CYP2A6 (0.45) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 |
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-2021030743-A2 | SMART PEPTIDES AND TRANSFORMABLE NANOPARTICLES FOR CANCER IMMUNOTHERAPY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-02-18 | — | — | WO | disclosed |