Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | TNF | P01375 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.36 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4373581 | 0.90 | EPHX1 (0.41) | ALDH1A1SMN1; SMN2HTTTNK2KCNH2 | |
| SCHEMBL4380524 | 0.90 | EPHX1 (0.41) | ALDH1A1SMN1; SMN2HTTTNK2KCNH2 | |
| SCHEMBL4367945 | 0.84 | CNR1 (0.49) | CNR1 | |
| SCHEMBL4370563 | 0.84 | CNR1 (0.49) | CNR1 | |
| SCHEMBL4380229 | 0.84 | CNR1 (0.49) | ALDH1A1CNR1RAB9ATDP1NPC1 | |
| SCHEMBL4380007 | 0.83 | CNR1 (0.60) | CNR1RAB9ANPC1KDM4E | |
| SCHEMBL4372670 | 0.82 | CNR1 (0.42) | ALDH1A1SMN1; SMN2CNR1HTTRAB9A | |
| SCHEMBL4375433 | 0.82 | EPHX1 (0.40) | ALDH1A1TNK2RAB9AKMT2AMEN1 | |
| SCHEMBL4382166 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HTTTNK2KCNH2 | |
| SCHEMBL4382165 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2HTTTNK2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1749002-B1 | PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY | HOFFMANN LA ROCHE (CH) | 2009-05-27 | — | — | EP | claimed |