Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3403943 | 0.84 | KMT2A (0.41) | RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3407739 | 0.82 | GAA (0.40) | RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3406748 | 0.78 | GAA (0.44) | RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL544484 | 0.73 | RAB9A (0.57) | RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3285739 | 0.70 | CYP1A2 (0.58) | RAB9AKMT2AMEN1ALDH1A1CYP1A2 | |
| SCHEMBL3292689 | 0.63 | LMNA (0.41) | RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14011314 | 0.62 | KMT2A (0.48) | RAB9AKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL9305939 | 0.62 | RAB9A (0.65) | RAB9AKMT2AMEN1SMN1; SMN2CYP1A2 | |
| Isobutane SCHEMBL8357971 | 0.61 | HTT (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL8663372 | 0.60 | ALDH1A1 (0.44) | KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1370260-B1 | AZOLES AS MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2010-11-24 | — | — | EP | claimed |