Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 2/20 | 0.50 |
| ▸ | SLC25A5 | P05141 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | HBB | P68871 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.35 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20207026 | 0.85 | S100A4 (0.53) | S100A4SLC25A5MAPTCYP1A2LMNA | |
| SCHEMBL11770519 | 0.82 | ACHE (0.55) | SLC25A5MAPTACHEMEN1KMT2A | |
| SCHEMBL15617654 | 0.75 | ACHE (0.58) | SLC25A5MAPTLMNAHTR2BACHE | |
| SCHEMBL15617655 | 0.73 | ACHE (0.38) | SLC25A5CYP1A2LMNACYP3A4ACHE | |
| SCHEMBL15617653 | 0.72 | ACHE (0.60) | MAPTLMNAHTR2BACHEMEN1 | |
| SCHEMBL20201784 | 0.71 | S100A4 (0.40) | S100A4SLC25A5MAPTCYP1A2LMNA | |
| SCHEMBL20376450 | 0.71 | S100A4 (0.40) | S100A4SLC25A5MAPTCYP1A2LMNA | |
| SCHEMBL1093630 | 0.71 | S100A4 (0.42) | S100A4SLC25A5MAPTCYP1A2LMNA | |
| SCHEMBL15617636 | 0.71 | NOTUM (0.38) | SLC25A5HTR2BACHEALDH1A1KDM4E | |
| SCHEMBL12259765 | 0.71 | ACHE (0.36) | SLC25A5MAPTLMNAMAPK1ACHE |
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-2012096832-A2 | HDAC INHIBITING DERIVATIVES OF CAMPTOTHECIN | CRYSTAL BIOPHARMACEUTICAL LLC (US) | 2012-07-19 | — | — | WO | disclosed |