Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL572320 | 0.98 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2LMNA | |
| Hydrochloric Acid SCHEMBL573476 | 0.95 | EPHX1 (0.33) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL8958541 | 0.95 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL538506 | 0.95 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL23870287 | 0.95 | EPHX1 (0.31) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL19280369 | 0.91 | EPHX1 (0.31) | LMNA | |
| SCHEMBL4196047 | 0.85 | — | — | |
| SCHEMBL3121565 | 0.82 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28425490 | 0.78 | MME (0.33) | ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL14212132 | 0.77 | EPHX1 (0.31) | ALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5583235-A | ALKENYLATION, CYCLIZATION | SHAMAN PHARMACEUTICALS, INC. (US) | 1996-12-10 | — | — | US | claimed |
| US-5583235-A | ALKENYLATION, CYCLIZATION | SHAMAN PHARMACEUTICALS, INC. (US) | 1996-12-10 | — | — | US | disclosed |
| WO-1995024404-A1 | PREPARATION OF SYMMETRICAL AND UNSYMMETRICAL DITHIIN COMPOUNDS | SHAMAN PHARMACEUTICALS, INC. (US) | 1995-09-14 | — | — | WO | disclosed |