Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24358294 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL4652993 | 0.78 | ALDH1A1 (0.54) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL17669776 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| Hydrochloric Acid SCHEMBL18920729 | 0.75 | ALDH1A1 (0.50) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL16594855 | 0.75 | ALDH1A1 (0.61) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL4655227 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL3029207 | 0.73 | ALDH1A1 (0.58) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL79561 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL4654160 | 0.72 | ALDH1A1 (0.52) | ALDH1A1TDP1CYP3A4TSHRCA2 | |
| SCHEMBL4655226 | 0.71 | ALDH1A1 (0.56) | ALDH1A1TDP1CYP3A4TSHRCA2 |
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-2023183585-A1 | KRAS INHIBITORS | ELI LILLY AND COMPANY (US) | 2023-09-28 | — | — | WO | disclosed |