Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL11647298 | 0.83 | CCR1 (0.49) | ALDH1A1HTTMEN1KMT2ACYP2D6 | |
| SCHEMBL27937425 | 0.83 | ALDH1A1 (0.49) | ALDH1A1HTTMITFRAB9AGFER | |
| SCHEMBL11647648 | 0.81 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2AKCNA3SIGMAR1 | |
| SCHEMBL7544052 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HTTMITFRAB9AGFER | |
| SCHEMBL22239218 | 0.78 | CHRNB4 (0.44) | ALDH1A1MAPK1CYP2D6CYP1A2HIF1A | |
| SCHEMBL30101423 | 0.77 | ALDH1A1 (0.53) | ALDH1A1HTTMITFRAB9AGFER | |
| SCHEMBL17810249 | 0.75 | ALDH1A1 (0.55) | ALDH1A1HTTMITFRAB9AGFER | |
| SCHEMBL9492162 | 0.74 | SLC6A3 (0.47) | HTTMITFSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3051447 | 0.73 | ALDH1A1 (0.49) | ALDH1A1HTTMITFRAB9AGFER | |
| SCHEMBL15767970 | 0.73 | ALDH1A1 (0.49) | ALDH1A1HTTMITFRAB9AGFER |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997014688-A1 | A PROCESS FOR THE PREPARATION OF α-CHLOROMETHYLPHENYLACETIC ACID DERIVATIVES | NOVARTIS AG (CH) | 1997-04-24 | — | — | WO | disclosed |
| US-5124326-A | Antiarrhythmic, hypotensive agents; diuretics | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1992-06-23 | — | — | US | disclosed |