Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.56 |
| ▸ | LIPE | Q05469 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | ABL1 | P00519 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.55 |
| ▸ | TUBB | P07437 | 1/20 | 0.55 |
| ▸ | LYN | P07948 | 1/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.55 |
| ▸ | BCR | P11274 | 1/20 | 0.55 |
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.55 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.55 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.55 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400266 | 0.96 | GAA (0.62) | GAASMN1; SMN2ALDH1A1KDM4ELIPE | |
| SCHEMBL28502559 | 0.86 | NPC1 (0.67) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL15522497 | 0.86 | EPHX2 (0.60) | ALDH1A1HRH3LIPELMNAEPHX2 | |
| SCHEMBL30727814 | 0.85 | TUBB4A (0.68) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL155785 | 0.85 | TUBB4A (0.68) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL25940273 | 0.85 | LTA4H (0.62) | KDM4EHRH3LTA4HKDM1A | |
| SCHEMBL10897064 | 0.84 | ALDH1A1 (0.67) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 | |
| SCHEMBL12315758 | 0.84 | KDM4E (0.63) | KDM4EHRH3LTA4HACACBKDM1A | |
| SCHEMBL12922895 | 0.82 | GLS (0.61) | SMN1; SMN2ALDH1A1KDM4EEPHX2 | |
| SCHEMBL3569060 | 0.82 | LTA4H (0.67) | NPC1RAB9AGAASMN1; SMN2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112251820-B | VEGFR-2 inhibitor screening method, VEGFR-2 inhibitor and antitumor drug | 绍兴文理学院 | 2023-02-17 | — | — | CN | disclosed |
| CN-112251820-A | VEGFR-2 inhibitor screening method, VEGFR-2 inhibitor and antitumor drug | 绍兴文理学院 | 2021-01-22 | — | — | CN | disclosed |