Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2906444 | 0.83 | ALDH1A1 (0.58) | ALDH1A1GAASMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL3410924 | 0.81 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2 | |
| SCHEMBL2906590 | 0.79 | ALDH1A1 (0.54) | ALDH1A1GAASMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL6589956 | 0.78 | ATM (0.47) | ALDH1A1GAASMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL20524290 | 0.77 | MEN1 (0.58) | ALDH1A1GAAHTTL3MBTL1CYP1A2 | |
| SCHEMBL2898204 | 0.76 | ALDH1A1 (0.51) | ALDH1A1GAASMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL3409718 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2 | |
| SCHEMBL16202046 | 0.74 | SMN1; SMN2 (0.49) | ALDH1A1SMN1; SMN2HTTL3MBTL1CYP1A2 | |
| SCHEMBL9379271 | 0.74 | HTT (0.61) | ALDH1A1GAASMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL2904893 | 0.73 | ALDH1A1 (0.48) | ALDH1A1GAASMN1; SMN2HTTL3MBTL1 |
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-6191149-B1 | DRUG FOR CEREBROVASCULAR DISEASE | NIPPON SHINYAKU, CO., LTD. (JP) | 2001-02-20 | — | — | US | disclosed |
| US-5945426-A | PREVENT NEURONAL DEATH | NIPPON SHINYAKU CO., LTD. (JP) | 1999-08-31 | — | — | US | disclosed |
| EP-0781766-A1 | HETEROCYCLIC DERIVATIVE AND MEDICINE | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1997-07-02 | — | — | EP | disclosed |