Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9563816 | 0.85 | L3MBTL1 (0.49) | ALDH1A1EPHX2GAAMEN1KMT2A | |
| SCHEMBL9529403 | 0.83 | MEN1 (0.50) | ALDH1A1MEN1KMT2AHPGDL3MBTL1 | |
| SCHEMBL9531767 | 0.83 | GAA (0.51) | ALDH1A1GAAKMT2AHPGDSMN1; SMN2 | |
| SCHEMBL9532413 | 0.81 | NR1H4 (0.54) | GAAMEN1KMT2AHDAC8L3MBTL1 | |
| SCHEMBL9563921 | 0.79 | ALDH1A1 (0.75) | ALDH1A1EPHX2GAAMEN1KMT2A | |
| SCHEMBL9529170 | 0.79 | ESRRG (0.51) | ALDH1A1EPHX2SMN1; SMN2 | |
| SCHEMBL9527224 | 0.79 | HTT (0.60) | ALDH1A1MEN1KMT2ASMN1; SMN2TDP1 | |
| Phenylthioacetylglycine SCHEMBL11381408 | 0.78 | AKR1B1 (0.54) | ALDH1A1CES2CES1AKR1B1GAA | |
| SCHEMBL9526863 | 0.78 | MEN1 (0.60) | ALDH1A1MEN1KMT2AHDAC8 | |
| SCHEMBL9564049 | 0.78 | CTBP2 (0.55) | ALDH1A1GAAMEN1KMT2AHDAC6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4916237-A | Substituted 1,2,3-thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1990-04-10 | — | — | US | claimed |
| EP-0252474-B1 | HYDRAZINE DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1993-04-21 | — | — | EP | disclosed |
| EP-0525832-A1 | Substituted 1,2,3- thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1993-02-03 | — | — | EP | disclosed |
| US-4916237-A | Substituted 1,2,3-thiadiazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1990-04-10 | — | — | US | disclosed |
| US-4803280-A | Substituted 1,2,3-thia-diazole-4-thiolates | AMERICAN CYANAMID COMPANY (US) | 1989-02-07 | — | — | US | disclosed |
| EP-0252474-A2 | Hydrazine derivatives | AMERICAN CYANAMID COMPANY (US) | 1988-01-13 | — | — | EP | disclosed |