Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.35 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CCR5 | P51681 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5227191 | 0.76 | PARP1 (0.39) | GLAKMT2AALDH1A1PDK1PDK2 | |
| Hydrochloric Acid SCHEMBL7287909 | 0.69 | GLA (0.59) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7287900 | 0.69 | GLA (0.59) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7277624 | 0.67 | GLA (0.57) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL7277609 | 0.67 | GLA (0.57) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL9037494 | 0.67 | GLA (0.53) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL17927863 | 0.66 | CYP1A2 (0.47) | KMT2AALDH1A1MAPK1L3MBTL1CYP1A2 | |
| SCHEMBL9038558 | 0.65 | GLA (0.60) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL9060376 | 0.64 | GLA (0.59) | GLAKMT2AALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL3393626 | 0.64 | GLA (0.62) | GLAKMT2AALDH1A1MAPK1L3MBTL1 |
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-1554280-B1 | ANTIDIABETIC BETA-AMINO HETEROCYCLIC DIPEPTIDYL PEPTIDASE INHIBITORS | MERCK & CO INC (US) | 2007-08-15 | — | — | EP | disclosed |