Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | BRD4 | O60885 | 1/20 | 0.48 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.48 |
| ▸ | GLS | O94925 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7774001 | 0.86 | PKM (0.51) | ALDH1A1GLSPKMLMNACYP3A4 | |
| SCHEMBL7770471 | 0.85 | BRD4 (0.48) | SMN1; SMN2BRD4CREBBPGLSHPGD | |
| SCHEMBL7773978 | 0.85 | GLS (0.45) | ALDH1A1BRD4CREBBPGLSUSP2 | |
| SCHEMBL7773979 | 0.85 | GLS (0.45) | ALDH1A1BRD4CREBBPGLSUSP2 | |
| SCHEMBL301842 | 0.85 | BRD4 (0.47) | ALDH1A1SMN1; SMN2BRD4CREBBPGLS | |
| Hydrochloric Acid SCHEMBL2034724 | 0.84 | BRD4 (0.46) | ALDH1A1SMN1; SMN2BRD4CREBBPGLS | |
| SCHEMBL2584476 | 0.82 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2USP2HPGDEPHX2 | |
| Acetic Acid SCHEMBL973925 | 0.82 | BRD4 (0.45) | ALDH1A1SMN1; SMN2BRD4CREBBPGLS | |
| SCHEMBL28801811 | 0.82 | BRD4 (0.47) | ALDH1A1SMN1; SMN2BRD4CREBBPGLS | |
| SCHEMBL7771603 | 0.81 | ROCK2 (0.53) | BRD4CREBBPCHRM3ROCK2LMNA |
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-1115731-A2 | NOVEL PYRANOSES | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 2001-07-18 | — | — | EP | disclosed |
| WO-2000014097-A2 | NOVEL PYRANOSES | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-03-16 | — | — | WO | disclosed |