Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | CD44 | P16070 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 2/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 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 | |
|---|---|---|---|---|
| SCHEMBL8404365 | 0.80 | CYP1A2 (0.48) | ALDH1A1TSHRHSD17B10HPGDCYP2A6 | |
| SCHEMBL10338252 | 0.80 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1HSD17B10 | |
| SCHEMBL29908309 | 0.75 | CYP2A6 (0.42) | ALDH1A1CYP2A6CYP1A2NR4A2PARP1 | |
| SCHEMBL2090970 | 0.75 | CYP2A6 (0.37) | ALDH1A1CYP2A6CYP1A2CYP17A1 | |
| SCHEMBL30640459 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP2A6CYP1A2CYP17A1 | |
| SCHEMBL10832904 | 0.75 | TRPA1 (0.41) | ALDH1A1TSHRTDP1HSD17B10HPGD | |
| SCHEMBL2091920 | 0.75 | ALDH1A1 (0.39) | ALDH1A1CYP2A6CYP1A2CYP17A1 | |
| SCHEMBL787846 | 0.75 | CYP2A6 (0.42) | ALDH1A1CYP2A6CYP1A2NR4A2PARP1 | |
| SCHEMBL288465 | 0.75 | ACHE (0.39) | ALDH1A1TSHRCYP2A6CYP1A2CYP17A1 | |
| SCHEMBL4420462 | 0.74 | CYP2A6 (0.41) | CYP2A6CYP1A2 |
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 |