Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | STS | P08842 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL680463 | 0.79 | ALDH1A1 (0.72) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| SCHEMBL7014391 | 0.78 | KDM4E (0.54) | ALDH1A1TDP1TSHRKDM4EHPGD | |
| SCHEMBL15315290 | 0.75 | KDM4E (0.59) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| SCHEMBL9868709 | 0.75 | TDP1 (0.66) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| SCHEMBL5166192 | 0.73 | LMNA (0.66) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| Propylparaben SCHEMBL6130230 | 0.73 | ESR1 (0.86) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| Propylparaben SCHEMBL1078675 | 0.73 | ESR1 (0.86) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| SCHEMBL9816116 | 0.73 | KDM4E (0.45) | ALDH1A1TDP1TSHRKDM4EHPGD | |
| SCHEMBL18459949 | 0.73 | LMNA (0.58) | ALDH1A1TDP1ESR1TSHRCHRM1 | |
| SCHEMBL49950 | 0.72 | ALDH1A1 (0.84) | ALDH1A1TDP1ESR1TSHRCHRM1 |
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-2008137780-A2 | USE OF [3.2.0] HETEROCYCLIC COMPOUNDS AND ANALOGS THEREOF FOR TREATING INFECTIOUS DISEASES | NEREUS PHARMACEUTICALS, INC. (US) | 2008-11-13 | — | — | WO | disclosed |