Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11260460 | 0.77 | CTSK (0.56) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL455924 | 0.76 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| Water SCHEMBL11024555 | 0.76 | CTSK (0.59) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11038225 | 0.75 | CTSK (0.75) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| Bicarbonate SCHEMBL27808442 | 0.74 | CTSK (0.53) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11024014 | 0.74 | CTSK (0.61) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6911921 | 0.73 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A | |
| SCHEMBL2548723 | 0.72 | CTSK (0.59) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL3626870 | 0.72 | CTSK (0.59) | CTSKALDH1A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28141709 | 0.71 | KMT2A (0.61) | ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214314-A2 | AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001007432-A2 | AMINOPIPERIDINE DERIVATIVES AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2001-02-01 | — | — | WO | disclosed |