Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 1/20 | 0.54 |
| ▸ | MMP13 | P45452 | 1/20 | 0.54 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23980349 | 0.85 | TAAR1 (0.43) | MMP12MMP13GPR52ALDH1A1TAAR1 | |
| SCHEMBL31643340 | 0.82 | CYP1A2 (0.60) | CYP1A2ALDH1A1HPGDFFAR1SMN1; SMN2 | |
| SCHEMBL12433153 | 0.82 | CYP1A2 (0.60) | CYP1A2ALDH1A1HPGDFFAR1SMN1; SMN2 | |
| SCHEMBL15319304 | 0.81 | HPGD (0.45) | ALDH1A1TAAR1HPGDGLSTSHR | |
| SCHEMBL4574068 | 0.77 | MMP12 (0.82) | MMP12MMP13CYP1A2ALDH1A1CES1 | |
| SCHEMBL7573 | 0.76 | FFAR1 (0.59) | GPR52CYP1A2ALDH1A1TAAR1FFAR1 | |
| SCHEMBL30641923 | 0.76 | FFAR1 (0.59) | GPR52CYP1A2ALDH1A1TAAR1FFAR1 | |
| SCHEMBL1648557 | 0.73 | TAAR1 (0.58) | GPR52CYP1A2TAAR1TSHR | |
| SCHEMBL30913085 | 0.73 | HDAC3 (0.57) | GPR52CYP1A2TAAR1FFAR1FFAR4 | |
| SCHEMBL4062337 | 0.73 | HDAC3 (0.57) | GPR52CYP1A2TAAR1FFAR1FFAR4 |
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-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |