Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7220257 | 0.80 | EGFR (0.54) | RAB9ANPC1KMT2AEGFRMMP1 | |
| SCHEMBL3638056 | 0.75 | SLC6A19 (0.49) | NPC1KMT2AEGFRMMP1MMP2 | |
| SCHEMBL18207263 | 0.75 | HPGD (0.54) | RAB9AKMT2ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7216546 | 0.75 | KMT2A (0.46) | KMT2AEGFRMMP1MMP2MMP9 | |
| SCHEMBL5011517 | 0.75 | EGFR (0.70) | KMT2AEGFRALDH1A1HPGDHDAC3 | |
| SCHEMBL5485829 | 0.74 | EGFR (0.73) | KMT2AEGFRALDH1A1HPGDHDAC3 | |
| SCHEMBL6726303 | 0.74 | EGFR (0.73) | KMT2AEGFRALDH1A1HPGDHDAC3 | |
| SCHEMBL4201387 | 0.73 | KMT2A (0.47) | RAB9ANPC1KMT2AEGFRMMP1 | |
| SCHEMBL12731248 | 0.73 | ZDHHC20 (0.50) | RAB9ANPC1KMT2AALDH1A1 | |
| SCHEMBL7220755 | 0.73 | ALDH1A1 (0.51) | KMT2AEGFRSMN1; SMN2ALDH1A1HPGD |
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-2046755-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. Hoffmann-Roche AG (CH) | 2009-04-15 | — | — | EP | disclosed |
| WO-2008012227-A2 | PYRAZOLES AS GLUCOKINASE ACTIVATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-01-31 | — | — | WO | disclosed |