Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 6/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.38 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.38 |
| ▸ | PLOD2 | O00469 | 1/20 | 0.37 |
| ▸ | PLOD3 | O60568 | 1/20 | 0.37 |
| ▸ | PLOD1 | Q02809 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL10512128 | 0.81 | HSP90AA1 (0.44) | P2RX7CYP2D6PLOD2PLOD3PLOD1 | |
| SCHEMBL29725232 | 0.81 | — | — | |
| SCHEMBL102661 | 0.81 | — | — | |
| Trifluoroacetic Acid SCHEMBL5263220 | 0.79 | HSP90AA1 (0.63) | L3MBTL1UBE2NP2RX7CYP2D6DPP4 | |
| Trifluoroacetic Acid SCHEMBL29630876 | 0.79 | HSP90AA1 (0.63) | L3MBTL1UBE2NP2RX7CYP2D6DPP4 | |
| Trifluoroacetic Acid SCHEMBL27742143 | 0.79 | P2RX7 (0.49) | L3MBTL1P2RX7CYP2D6DPP4KCNH2 | |
| Trifluoroacetic Acid SCHEMBL30581171 | 0.79 | P2RX7 (0.49) | L3MBTL1P2RX7CYP2D6DPP4KCNH2 | |
| Hydrochloric Acid SCHEMBL6215572 | 0.79 | — | — | |
| Bromide SCHEMBL28363832 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL30706493 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112996794-A | Fused heterocyclic compounds as RET kinase inhibitors | 阿雷生物药品公司 | 2021-06-18 | — | — | CN | disclosed |