Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11095009 | 0.82 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL8763549 | 0.82 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL10788742 | 0.81 | ALDH1A1 (0.33) | ALDH1A1ATML3MBTL1HPGDMAPT | |
| SCHEMBL11095006 | 0.81 | ALDH1A1 (0.33) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL27583635 | 0.77 | KMT2A (0.41) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL28095620 | 0.73 | ALDH1A1 (0.37) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL9531309 | 0.71 | ALDH1A1 (0.37) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL5847084 | 0.67 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL193314 | 0.64 | — | — | |
| SCHEMBL7083192 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0590681-B1 | A process for the preparation of aminothiadiazolylacetyl halide derivatives | EISAI KAGAKU KK (JP) | 1997-07-09 | — | — | EP | disclosed |
| US-5428173-A | Halogenating corresponding aminothiadiazolylacetic acid | EISAI CHEMICAL CO., LTD. (JP) | 1995-06-27 | — | — | US | disclosed |
| EP-0590681-A2 | A process for the preparation of aminothiadiazolylacetyl halide derivatives | EISAI CHEMICAL CO., LTD. (JP) | 1994-04-06 | — | — | EP | disclosed |