Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.73 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.54 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.53 |
| ▸ | TUBB | P07437 | 1/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.53 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.53 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.53 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.53 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.53 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL28984299 | 0.88 | ABCG2 (0.74) | ABCG2MEN1KMT2ACYP1A1CYP1A2 | |
| SCHEMBL29827286 | 0.88 | ABCG2 (0.74) | ABCG2MEN1KMT2ACYP1A1CYP1A2 | |
| SCHEMBL28984326 | 0.86 | TUBB1 (0.72) | TUBB1ABCG2MEN1KMT2ACYP1A1 | |
| SCHEMBL3260873 | 0.82 | TNFRSF1A (0.78) | TUBB1ABCG2MEN1KMT2ATNFRSF1A | |
| SCHEMBL3260868 | 0.82 | TNFRSF1A (0.78) | TUBB1ABCG2MEN1KMT2ATNFRSF1A | |
| SCHEMBL25185035 | 0.82 | TUBB1 (0.72) | TUBB1ABCG2MEN1KMT2ATNFRSF1A | |
| SCHEMBL584262 | 0.81 | KDM4E (0.73) | TUBB1LMNACA1CA2 | |
| SCHEMBL584263 | 0.81 | KDM4E (0.73) | TUBB1LMNACA1CA2 | |
| SCHEMBL28984297 | 0.80 | F3 (0.69) | ABCG2MEN1KMT2ACYP1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL6818633 | 0.79 | KDM4E (0.71) | TUBB1LMNACA1CA2 |
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-109535068-B | Pyridine substituted chalcone compound or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 中国药科大学 | 2022-07-29 | — | — | CN | disclosed |