Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.68 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.68 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.39 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.34 |
| ▸ | TUBB | P07437 | 1/20 | 0.34 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.34 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.34 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.34 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.34 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.34 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4538147 | 0.99 | ABCB1 (0.69) | ABCB1ABCG2PDE4BSTING1HPGD | |
| SCHEMBL4538145 | 0.99 | ABCB1 (0.69) | ABCB1ABCG2PDE4BSTING1HPGD | |
| SCHEMBL18543729 | 0.87 | ABCB1 (0.59) | ABCB1ABCG2PDE4BSTING1HPGD | |
| Hydrochloric Acid SCHEMBL4560078 | 0.87 | ABCB1 (0.57) | ABCB1ABCG2PDE4BSLC6A4KDM4E | |
| SCHEMBL15640199 | 0.87 | ABCB1 (0.68) | ABCB1ABCG2PDE4BHPGDSLC6A4 | |
| SCHEMBL15640201 | 0.87 | ABCB1 (0.68) | ABCB1ABCG2PDE4BHPGDSLC6A4 | |
| SCHEMBL18543730 | 0.87 | ABCB1 (0.59) | ABCB1ABCG2PDE4BSTING1KDM4E | |
| SCHEMBL18543731 | 0.85 | ABCB1 (0.57) | ABCB1ABCG2PDE4BHPGDLMNA | |
| SCHEMBL18543735 | 0.85 | ABCB1 (0.57) | ABCB1ABCG2PDE4BHPGDKDM4E | |
| SCHEMBL18543728 | 0.85 | ABCB1 (0.68) | ABCB1ABCG2PDE4BHPGDSLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8697742-B2 | BCRP/ABCG2 inhibitor | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2014-04-15 | — | — | US | disclosed |