Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE7A | Q13946 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.32 |
| ▸ | RAB9A | P51151 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9353724 | 0.79 | PDE7A (0.36) | PDE7A | |
| SCHEMBL10387669 | 0.68 | S100A4 (0.36) | MAPTSMN1; SMN2HPGDL3MBTL1ALDH1A1 | |
| SCHEMBL9711302 | 0.68 | TDP1 (0.47) | SMN1; SMN2HPGDPOLBL3MBTL1ALDH1A1 | |
| SCHEMBL8588740 | 0.67 | NPC1 (0.39) | MAPTPOLBL3MBTL1ALDH1A1LMNA | |
| SCHEMBL9740362 | 0.67 | TSHR (0.37) | SMN1; SMN2ALDH1A1TDP1RECQL | |
| SCHEMBL9350811 | 0.66 | ALDH1A1 (0.31) | MAPTALDH1A1 | |
| SCHEMBL9350016 | 0.65 | CYP2A6 (0.41) | MAPTMEN1KMT2A | |
| SCHEMBL11537897 | 0.65 | — | — | |
| SCHEMBL10592822 | 0.64 | ALDH1A1 (0.31) | MAPTPOLBL3MBTL1ALDH1A1TDP1 | |
| SCHEMBL9353873 | 0.64 | DAO (0.32) | SMN1; SMN2 |
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-0340010-B1 | Heterocyclic nitromethane derivatives | ICI PLC (GB) | 1994-08-24 | — | — | EP | disclosed |
| US-5102905-A | For treating side effects of diabetes and galactosemia | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-07 | — | — | US | disclosed |
| EP-0340010-A2 | Heterocyclic nitromethane derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-11-02 | — | — | EP | disclosed |