Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MITF | O75030 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL27937425 | 0.98 | ALDH1A1 (0.49) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL27950882 | 0.85 | POLB (0.50) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL8894427 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL17810249 | 0.77 | ALDH1A1 (0.55) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL30101423 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL27937448 | 0.73 | CYP2D6 (0.33) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL23775098 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL17616735 | 0.72 | MITF (0.68) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL1205842 | 0.72 | GAA (0.71) | ALDH1A1HTTMITFSMN1; SMN2RAB9A | |
| SCHEMBL3082979 | 0.72 | GAA (0.71) | ALDH1A1HTTMITFSMN1; SMN2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002040023-A1 | NOVEL USE | SMITHKLINE BEECHAM CORPORATION (US) | 2002-05-23 | — | — | WO | disclosed |