Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GBA1 | P04062 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5674483 | 0.78 | GAA (0.42) | ALDH1A1LMNASMN1; SMN2KEAP1KDM4E | |
| SCHEMBL5675309 | 0.75 | GAA (0.42) | ALDH1A1GBA1LMNAKEAP1KDM4E | |
| SCHEMBL7497785 | 0.74 | BRD4 (0.46) | ALDH1A1GBA1LMNASMN1; SMN2KEAP1 | |
| SCHEMBL10084139 | 0.73 | SLC6A4 (0.54) | ALDH1A1GBA1LMNASMN1; SMN2KEAP1 | |
| SCHEMBL9140049 | 0.71 | KEAP1 (0.51) | ALDH1A1GBA1LMNASMN1; SMN2KEAP1 | |
| SCHEMBL6632034 | 0.68 | CTSK (0.49) | ALDH1A1LMNACTSLCTSBCTSK | |
| SCHEMBL6008587 | 0.68 | ALDH1A1 (0.53) | ALDH1A1GBA1LMNASMN1; SMN2KEAP1 | |
| SCHEMBL6007599 | 0.66 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2KEAP1KDM4E | |
| SCHEMBL6006902 | 0.66 | ALDH1A1 (0.57) | ALDH1A1GBA1LMNASMN1; SMN2KEAP1 | |
| SCHEMBL3934921 | 0.66 | ALDH1A1 (0.57) | ALDH1A1GBA1LMNASMN1; SMN2KEAP1 |
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-1177172-A1 | 3a,4,5,9b-TETRAHYDRO-1H-BENZ e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2002-02-06 | — | — | EP | disclosed |
| WO-2000068197-A1 | 3a,4,5,9b-TETRAHYDRO-1H-BENZ[e]INDOL-2-YL AMINE-DERIVED NEUROPEPTIDE Y RECEPTORS LIGANDS USEFUL IN THE TREATMENT OF OBESITY AND OTHER DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-11-16 | — | — | WO | disclosed |