Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | CFTR | P13569 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11236896 | 0.84 | HDAC1 (0.42) | TP53KDM4ESMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL11250134 | 0.78 | ALDH1A1 (0.59) | TP53KDM4ESMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL9839604 | 0.77 | ALDH1A1 (0.43) | TP53KDM4ESMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL4886558 | 0.74 | LMNA (0.57) | TP53KDM4ESMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL11096840 | 0.70 | HPGD (0.53) | SMN1; SMN2HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL27966436 | 0.66 | HDAC1 (0.52) | SMN1; SMN2HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL9838267 | 0.65 | KMT2A (0.49) | TP53KDM4ESMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL11248669 | 0.65 | ALDH1A1 (0.55) | TP53KDM4ESMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11096886 | 0.65 | HPGD (0.56) | SMN1; SMN2HDAC1HDAC2HDAC6ALDH1A1 | |
| SCHEMBL10962240 | 0.65 | SLC6A3 (0.33) | — |
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-4329460-A | ANTICANCER AGENTS, ANTIVIRAL AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1982-05-11 | — | — | US | disclosed |