Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL8617365 | 1.00 | ALDH1A1 (0.51) | ALDH1A1ADRB3KCNH2MEN1KMT2A | |
| SCHEMBL7171047 | 0.87 | KCNH2 (0.46) | ALDH1A1ADRB3KCNH2MEN1KMT2A | |
| SCHEMBL7171059 | 0.87 | KCNH2 (0.46) | ALDH1A1ADRB3KCNH2MEN1KMT2A | |
| SCHEMBL7009713 | 0.87 | MEN1 (0.58) | ALDH1A1ADRB3KCNH2MEN1KMT2A | |
| SCHEMBL7009709 | 0.87 | MEN1 (0.58) | ALDH1A1ADRB3KCNH2MEN1KMT2A | |
| SCHEMBL7115609 | 0.86 | ADRB3 (0.62) | ALDH1A1ADRB3KCNH2MEN1KMT2A | |
| SCHEMBL1993401 | 0.85 | KCNH2 (0.47) | ALDH1A1ADRB3KCNH2GAAADRB2 | |
| SCHEMBL17177098 | 0.84 | KCNH2 (0.45) | ALDH1A1KCNH2MEN1KMT2AMAPT | |
| SCHEMBL16796534 | 0.83 | KCNH2 (0.50) | ALDH1A1ADRB3KCNH2MAPTLMNA | |
| SCHEMBL7123781 | 0.83 | ADRB3 (0.61) | ALDH1A1ADRB3KCNH2ADRB2ADRB1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10158233-A | — | — | None | — | — | JP | disclosed |
| CN-1098841-C | Novel amide derivatives and pharmaceutical compositions thereof | YAMANOUCHI PHARMA CO LTD (JP) | 2003-01-15 | — | — | CN | disclosed |
| CN-1244193-A | Novel amide derivatives and medicinal compositions thereof | YAMANOUCHI PHARMA CO LTD (JP) | 2000-02-09 | — | — | CN | disclosed |
| JP-H10158233-A | NEW GUANIDINE DERIVATIVE OR SALT THEREOF | YAMANOUCHI PHARMACEUT CO LTD | 1998-06-16 | — | — | JP | disclosed |