Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.48 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TERT | O14746 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18976316 | 0.91 | AR (0.43) | ARERBB2MAPTALDH1A1ALOX15 | |
| SCHEMBL20581193 | 0.81 | AR (0.61) | ARPOLBHPGDHRH3TP53 | |
| SCHEMBL20581392 | 0.79 | AR (0.62) | ARPOLBHRH3LMNA | |
| SCHEMBL18976141 | 0.77 | AR (0.51) | ARPOLBHRH3TP53CNR2 | |
| SCHEMBL18975699 | 0.76 | HRAS (0.56) | ARMAPTPOLBTOP1HRH3 | |
| SCHEMBL18975701 | 0.76 | ERBB2 (0.80) | ERBB2 | |
| SCHEMBL18975731 | 0.76 | AR (0.52) | ARPOLBHRH3TP53LMNA | |
| SCHEMBL18976491 | 0.75 | TP53 (0.41) | ARPOLBHRH3TP53CNR2 | |
| SCHEMBL18975813 | 0.75 | ERBB2 (0.44) | ERBB2 | |
| SCHEMBL18975698 | 0.75 | ERBB2 (0.81) | ERBB2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017098257-A1 | PBD ANTIBACTERIAL AGENTS | KING'S COLLEGE LONDON (GB) | 2017-06-15 | — | — | WO | disclosed |