Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 3/20 | 0.82 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.78 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.70 |
| ▸ | TUBB1 | Q9H4B7 | 6/20 | 0.64 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.64 |
| ▸ | TUBB | P07437 | 3/20 | 0.64 |
| ▸ | TUBA3C | P0DPH7 | 3/20 | 0.64 |
| ▸ | TUBA1B | P68363 | 3/20 | 0.64 |
| ▸ | TUBA4A | P68366 | 3/20 | 0.64 |
| ▸ | TUBB4B | P68371 | 3/20 | 0.64 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.64 |
| ▸ | TUBB2A | Q13885 | 3/20 | 0.64 |
| ▸ | TUBB8 | Q3ZCM7 | 3/20 | 0.64 |
| ▸ | TUBA3E | Q6PEY2 | 3/20 | 0.64 |
| ▸ | TUBA1A | Q71U36 | 3/20 | 0.64 |
| ▸ | TUBA1C | Q9BQE3 | 3/20 | 0.64 |
| ▸ | TUBB6 | Q9BUF5 | 3/20 | 0.64 |
| ▸ | TUBB2B | Q9BVA1 | 3/20 | 0.64 |
| ▸ | KRAS | P01116 | 1/20 | 0.61 |
| ▸ | P4HB | P07237 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL29018446 | 1.00 | ABCB1 (0.82) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL30492767 | 1.00 | ABCB1 (0.82) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL12484514 | 0.88 | TNFRSF1A (1.00) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL12484518 | 0.88 | TNFRSF1A (1.00) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL29018483 | 0.85 | ABCG2 (0.86) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL29018481 | 0.85 | ABCG2 (0.86) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL28906347 | 0.85 | CXCL12 (0.73) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| Dimethylamine SCHEMBL6356653 | 0.84 | TNFRSF1A (0.92) | ABCB1TNFRSF1AABCG2TUBB1TUBB4A | |
| SCHEMBL11796150 | 0.82 | ABCB1 (0.83) | ABCB1TNFRSF1AABCG2KRAS | |
| SCHEMBL11796142 | 0.82 | ABCB1 (0.83) | ABCB1TNFRSF1AABCG2KRAS |
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-116284025-A | Spiro heterocyclic compound with anticancer effect, pharmaceutical composition and application thereof | 国科大杭州高等研究院 | 2023-06-23 | — | — | CN | disclosed |